(3R)-1-(6-((9-cyclopentyl-8-fluoro-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-pyridinyl)-3-pyrrolidinol

HCID 58299703
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Basic information

Standard SMILES
O[C@@H]1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)C1
InChIKey
CFZGMAQTSTWGSI-MRXNPFEDSA-N
Molecular formula
C23H24FN7O
Average molar mass
433.5 g/mol

Names & identifiers

Preferred name
(3R)-1-(6-((9-cyclopentyl-8-fluoro-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-pyridinyl)-3-pyrrolidinol
IUPAC
(3R)-1-[6-[(8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]pyrrolidin-3-ol

Names & synonyms

SCHEMBL1980165CHEMBL3702091CFZGMAQTSTWGSI-MRXNPFEDSA-NBDBM132439US8841312, 186A(3R)-1-(6-((9-cyclopentyl-8-fluoro-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-pyridinyl)-3-pyrrolidinol

Database identifiers

PubChem CID
58299703
ChEMBL
CHEMBL3702091

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
92 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
32

Related reactions

2 records
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Compound notes

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