8-(5-chloro-2-(1-methyl-1H-pyrazol-5-ylamino)pyridin-4-ylamino)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one

HCID 44609040

Notes Reactions

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Basic information

Standard SMILES: CN1CCc2cccc(Nc3cc(Nc4ccnn4C)ncc3Cl)c2C1=O
InChIKey: SXTIRXMNYXCRGH-UHFFFAOYSA-N
Molecular formula: C19H19ClN6O
Average molar mass: 382.8 g/mol

Names & identifiers

Preferred name: 8-(5-chloro-2-(1-methyl-1H-pyrazol-5-ylamino)pyridin-4-ylamino)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
IUPAC: 8-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one

Names & synonyms

SCHEMBL1557773SXTIRXMNYXCRGH-UHFFFAOYSA-N8-(5-chloro-2-(1-methyl-1H-pyrazol-5-ylamino)pyridin-4-ylamino)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one

Database identifiers

PubChem CID: 44609040

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 75.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 536

Related reactions

7 records

New reaction record

HRID 123As product750 AstraZeneca ELN dataset

HRID 124As product750 AstraZeneca ELN dataset

HRID 125As product750 AstraZeneca ELN dataset

HRID 126As product750 AstraZeneca ELN dataset

HRID 127As product750 AstraZeneca ELN dataset

HRID 87039As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1045945As productuspto-grants-2013_10

Compound notes

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