(S)-N6-(1-(6-(1-(Difluoromethyl)-1H-pyrazol-5-yl)-1-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)-9H-purine-2,6-diamine

HCID 178461978
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Basic information

Standard SMILES
C[C@H](Nc1nc(N)nc2[nH]cnc12)c1nc2ccn(C)c2cc1-c1ccnn1C(F)F
InChIKey
RVQKSBUAINSSSD-VIFPVBQESA-N
Molecular formula
C19H18F2N10
Average molar mass
424.4 g/mol
Monoisotopic mass
424.16839694

Names & identifiers

Preferred name
(S)-N6-(1-(6-(1-(Difluoromethyl)-1H-pyrazol-5-yl)-1-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)-9H-purine-2,6-diamine
IUPAC
6-N-[(1S)-1-[6-[2-(difluoromethyl)pyrazol-3-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]-7H-purine-2,6-diamine

Names & synonyms

(S)-N6-(1-(6-(1-(Difluoromethyl)-1H-pyrazol-5-yl)-1-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)-9H-purine-2,6-diamineSCHEMBL15410983

Database identifiers

PubChem CID
73055705

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
128 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
31

Related reactions

1 records
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Compound notes

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