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Summary Geometry Related PDB entries

OGR

Summary

Name:	7-cyclopentyl-N,N-dimethyl-2-{[5-(methylcarbamoyl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Formula:	C21 H25 N7 O2
Formal charge:	0
Formula weight:	407.469 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-cyclopentyl-N,N-dimethyl-2-{[5-(methylcarbamoyl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
OpenEye OEToolkits	2.0.7	7-cyclopentyl-~{N},~{N}-dimethyl-2-[[5-(methylcarbamoyl)pyridin-2-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CNC(=O)c1ccc(nc1)Nc1ncc2cc(C(=O)N(C)C)n(c2n1)C1CCCC1
InChI	InChI	1.03	InChI=1S/C21H25N7O2/c1-22-19(29)13-8-9-17(23-11-13)25-21-24-12-14-10-16(20(30)27(2)3)28(18(14)26-21)15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3,(H,22,29)(H,23,24,25,26)
InChIKey	InChI	1.03	ZWAGHYMVHPAUMT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)c1ccc(Nc2ncc3cc(n(C4CCCC4)c3n2)C(=O)N(C)C)nc1
SMILES	CACTVS	3.385	CNC(=O)c1ccc(Nc2ncc3cc(n(C4CCCC4)c3n2)C(=O)N(C)C)nc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CNC(=O)c1ccc(nc1)Nc2ncc3cc(n(c3n2)C4CCCC4)C(=O)N(C)C
SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)c1ccc(nc1)Nc2ncc3cc(n(c3n2)C4CCCC4)C(=O)N(C)C

250835

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