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Summary Geometry Related PDB entries

RQY

Summary

Name:	2-(2,6-dimethylpyridin-4-yl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole
Formula:	C23 H29 N3
Formal charge:	0
Formula weight:	347.496 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(2,6-dimethylpyridin-4-yl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole
OpenEye OEToolkits	2.0.7	2-(2,6-dimethylpyridin-4-yl)-5-piperidin-4-yl-3-propan-2-yl-1~{H}-indole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(CCNCC1)c4ccc3nc(c2cc(nc(C)c2)C)c(c3c4)C(C)C
InChI	InChI	1.03	InChI=1S/C23H29N3/c1-14(2)22-20-13-18(17-7-9-24-10-8-17)5-6-21(20)26-23(22)19-11-15(3)25-16(4)12-19/h5-6,11-14,17,24,26H,7-10H2,1-4H3
InChIKey	InChI	1.03	XSXCQWXAFRASGU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)c1c([nH]c2ccc(cc12)C3CCNCC3)c4cc(C)nc(C)c4
SMILES	CACTVS	3.385	CC(C)c1c([nH]c2ccc(cc12)C3CCNCC3)c4cc(C)nc(C)c4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(cc(n1)C)c2c(c3cc(ccc3[nH]2)C4CCNCC4)C(C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(n1)C)c2c(c3cc(ccc3[nH]2)C4CCNCC4)C(C)C

221716

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