(S)-N-(1-((1H-imidazol-2-yl)methyl)piperidin-3-yl)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine

HCID 68007120
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Basic information

Standard SMILES
Fc1cnc(-c2c[nH]c3ncc(Cl)cc23)nc1N[C@H]1CCCN(Cc2ncc[nH]2)C1
InChIKey
CZYVCXHULBJGHF-ZDUSSCGKSA-N
Molecular formula
C20H20ClFN8
Average molar mass
426.9 g/mol

Names & identifiers

Preferred name
(S)-N-(1-((1H-imidazol-2-yl)methyl)piperidin-3-yl)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine
IUPAC
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine

Names & synonyms

SCHEMBL10006768CZYVCXHULBJGHF-ZDUSSCGKSA-N(S)-N-(1-((1H-imidazol-2-yl)methyl)piperidin-3-yl)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine

Database identifiers

PubChem CID
68007120

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
98.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
30

Related reactions

2 records
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Compound notes

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