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Summary Geometry Related PDB entries

A1CHQ

Summary

Name:	(6M)-N-[(1R,2R)-2-(pyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
Formula:	C26 H25 N5 O
Formal charge:	0
Formula weight:	423.51 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(6M)-N-[(1R,2R)-2-(pyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
OpenEye OEToolkits	3.1.0.0	~{N}-[(1~{R},2~{R})-2-pyrrolidin-1-yl-2,3-dihydro-1~{H}-inden-1-yl]-6-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(NC1c2ccccc2CC1N1CCCC1)c1ccc(nc1)c1ccnc2[NH]ccc21
InChI	InChI	1.06	InChI=1S/C26H25N5O/c32-26(18-7-8-22(29-16-18)20-9-11-27-25-21(20)10-12-28-25)30-24-19-6-2-1-5-17(19)15-23(24)31-13-3-4-14-31/h1-2,5-12,16,23-24H,3-4,13-15H2,(H,27,28)(H,30,32)/t23-,24-/m1/s1
InChIKey	InChI	1.06	YXSWSKFLTNJZEO-DNQXCXABSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(N[C@H]1[C@@H](Cc2ccccc12)N3CCCC3)c4ccc(nc4)c5ccnc6[nH]ccc56
SMILES	CACTVS	3.385	O=C(N[CH]1[CH](Cc2ccccc12)N3CCCC3)c4ccc(nc4)c5ccnc6[nH]ccc56
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)C[C@H]([C@@H]2NC(=O)c3ccc(nc3)c4ccnc5c4cc[nH]5)N6CCCC6
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)CC(C2NC(=O)c3ccc(nc3)c4ccnc5c4cc[nH]5)N6CCCC6

253795

PDB entries from 2026-05-20

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