N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-yl)-1-chloro-6-methylisoquinolin-5-amine

HCID 59627376
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Basic information

Standard SMILES
Cc1ccc2c(Cl)nccc2c1Nc1ncccc1-c1ncnc2[nH]ccc12
InChIKey
HYPIPSPZIUQQTJ-UHFFFAOYSA-N
Molecular formula
C21H15ClN6
Average molar mass
386.8 g/mol

Names & identifiers

Preferred name
N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-yl)-1-chloro-6-methylisoquinolin-5-amine
IUPAC
1-chloro-6-methyl-N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-pyridinyl]isoquinolin-5-amine

Names & synonyms

SCHEMBL3645004HYPIPSPZIUQQTJ-UHFFFAOYSA-NN-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-yl)-1-chloro-6-methylisoquinolin-5-amine

Database identifiers

PubChem CID
59627376

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
79.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
28

Related reactions

6 records
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Compound notes

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