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Summary Geometry Related PDB entries

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Summary

Name:	1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide
Formula:	C23 H24 Cl N5 O2
Formal charge:	0
Formula weight:	437.922 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide
OpenEye OEToolkits	2.0.7	(2~{R})-1-[1-(4-chlorophenyl)cyclopentyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1)C1(CCCC1)C(=O)N1CCCC1C(=O)Nc1ccc2[NH]ncc2n1
InChI	InChI	1.03	InChI=1S/C23H24ClN5O2/c24-16-7-5-15(6-8-16)23(11-1-2-12-23)22(31)29-13-3-4-19(29)21(30)27-20-10-9-17-18(26-20)14-25-28-17/h5-10,14,19H,1-4,11-13H2,(H,25,28)(H,26,27,30)/t19-/m1/s1
InChIKey	InChI	1.03	IDPXNSVWJPGGFG-LJQANCHMSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc(cc1)C2(CCCC2)C(=O)N3CCC[C@@H]3C(=O)Nc4ccc5[nH]ncc5n4
SMILES	CACTVS	3.385	Clc1ccc(cc1)C2(CCCC2)C(=O)N3CCC[CH]3C(=O)Nc4ccc5[nH]ncc5n4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1C2(CCCC2)C(=O)N3CCC[C@@H]3C(=O)Nc4ccc5c(n4)cn[nH]5)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C2(CCCC2)C(=O)N3CCCC3C(=O)Nc4ccc5c(n4)cn[nH]5)Cl

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PDB entries from 2024-10-09

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