7-cyclopentyl-2-{5-[4-(piperidine-1-carbonyl)-piperazin-1-yl]-pyridin-2-ylamino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide

HCID 58315411

Basic information

Standard SMILES
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)N5CCCCC5)CC4)cn3)nc2n1C1CCCC1
InChIKey
UKSSOERBIHXEIJ-UHFFFAOYSA-N
Molecular formula
C29H39N9O2
Average molar mass
545.7 g/mol
Monoisotopic mass
545.32267152

Names & identifiers

Preferred name
7-cyclopentyl-2-{5-[4-(piperidine-1-carbonyl)-piperazin-1-yl]-pyridin-2-ylamino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide
IUPAC
7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(piperidine-1-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

Names & synonyms

SCHEMBL1989773CHEMBL3658077UKSSOERBIHXEIJ-UHFFFAOYSA-NBDBM148282US8962630, 947-cyclopentyl-2-{5-[4-(piperidine-1-carbonyl)-piperazin-1-yl]-pyridin-2-ylamino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide

Database identifiers

PubChem CID
58315411
ChEMBL
CHEMBL3658077

Properties

Computed structural properties

XLogP
3
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
40

Related reactions

5 records

Compound notes

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