A1A2L

1-(cyclohexylmethyl)-5-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-6-carboxamide

Created:	2024-08-19
Last modified:	2025-08-20

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1 entries where A1A2L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	0
Bond Count	68
Aromatic Bond Count	16

2D diagram of A1A2L

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Chemical Component Summary
Name	1-(cyclohexylmethyl)-5-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-6-carboxamide
Systematic Name (OpenEye OEToolkits)	5-[[2,4-bis(fluoranyl)phenyl]methyl]-1-(cyclohexylmethyl)-~{N}-[2-(dimethylamino)ethyl]indazole-6-carboxamide
Formula	C₂₆ H₃₂ F₂ N₄ O
Molecular Weight	454.555
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN(C)CCNC(=O)c1cc2c(cc1Cc1ccc(F)cc1F)cnn2CC1CCCCC1
SMILES	CACTVS	3.385	CN(C)CCNC(=O)c1cc2n(CC3CCCCC3)ncc2cc1Cc4ccc(F)cc4F
SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCNC(=O)c1cc2c(cc1Cc3ccc(cc3F)F)cnn2CC4CCCCC4
Canonical SMILES	CACTVS	3.385	CN(C)CCNC(=O)c1cc2n(CC3CCCCC3)ncc2cc1Cc4ccc(F)cc4F
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCNC(=O)c1cc2c(cc1Cc3ccc(cc3F)F)cnn2CC4CCCCC4
InChI	InChI	1.06	InChI=1S/C26H32F2N4O/c1-31(2)11-10-29-26(33)23-15-25-21(16-30-32(25)17-18-6-4-3-5-7-18)13-20(23)12-19-8-9-22(27)14-24(19)28/h8-9,13-16,18H,3-7,10-12,17H2,1-2H3,(H,29,33)
InChIKey	InChI	1.06	KRBANHWMWFMMPJ-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.