2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile

HCID 44512896

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Basic information

CAS: 1029714-87-1
Standard SMILES: N#Cc1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIKey: DCHLMGJQDKHZLO-UHFFFAOYSA-N
Molecular formula: C22H13FN6
Average molar mass: 380.4 g/mol
Monoisotopic mass: 380.1185726

Names & identifiers

Preferred name: 2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile
IUPAC: 2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile
English name: 2-fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzonitrile
Molecular formula: C22H13FN6
Molecular weight: 380.38

Names & synonyms

2-Fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzonitrile2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile2-Fluoro-4-(7-(quinolin-6-ylmethyl)imidazo(1,2-b)(1,2,4)triazin-2-yl)benzonitrileRefChem:472308812-406-21029714-87-1Benzonitrile, 2-fluoro-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-JZ89E357LDSCHEMBL1697118DCHLMGJQDKHZLO-UHFFFAOYSA-NDTXSID001035662DB-182156

Show more names

2-Fluoro-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzo-nitrile

Database identifiers

CAS: 1029714-87-1
PubChem CID: 44512896
DTXSID: DTXSID001035662
UNII: JZ89E357LD
EC Number: 812-406-2

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 79.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 29
Formal charge: 0
Complexity: 622

Physicochemical properties

vapor pressure: 0.002 · 0.002-0.007Pa at 20-25℃
LogP: 2.9 at · 2.9 at 20℃ and pH7
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34497

Hazard Classes and CategoriesSkin Sens. 1A (100%)

Regulatory information

Regulatory InformationStatus: Active Update: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34497

Safety data

REACH Registrations: Active

Chemistry & industry

Applications

Uses2-Fluoro-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile is a useful research chemical compound used in the preparation of imidazotriazines and imidazopyrimidines as kinase inhibitors.