2-methyl-1-[4-(3-quinolin-6-ylmethyl-3H-[1,2,3]triazolo[4,5-b]pyrazin-5-yl)-pyrazol-1-yl]-propan-2-ol (HCID 59341845)

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Basic information

Standard SMILES: CC(C)(O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIKey: HTPDWACPZMDRRQ-UHFFFAOYSA-N
Molecular formula: C21H20N8O
Average molar mass: 400.4 g/mol

Names & identifiers

Preferred name: 2-methyl-1-[4-(3-quinolin-6-ylmethyl-3H-[1,2,3]triazolo[4,5-b]pyrazin-5-yl)-pyrazol-1-yl]-propan-2-ol
IUPAC: 2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol

Names & synonyms

CHEMBL2170820SCHEMBL2569065HTPDWACPZMDRRQ-UHFFFAOYSA-NBDBM503969402-methyl-1-[4-(3-quinolin-6-ylmethyl-3H-[1,2,3]triazolo[4,5-b]pyrazin-5-yl)-pyrazol-1-yl]-propan-2-ol

Database identifiers

PubChem CID: 59341845
ChEMBL: CHEMBL2170820

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 107 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 591

Related reactions

2 records

New reaction record

HRID 15995As productuspto-grants-2010_06

HRID 1202031As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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