A1JJ8

~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]propanamide

Created:	2025-07-16
Last modified:	2025-10-22

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	16

2D diagram of A1JJ8

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Chemical Component Summary
Name	~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]propanamide
Formula	C₁₈ H₁₈ F N₃ O
Molecular Weight	311.353
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)Nc1nn(Cc2ccc(F)cc2)c3c(C)cccc13
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)Nc1c2cccc(c2n(n1)Cc3ccc(cc3)F)C
Canonical SMILES	CACTVS	3.385	CCC(=O)Nc1nn(Cc2ccc(F)cc2)c3c(C)cccc13
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)Nc1c2cccc(c2n(n1)Cc3ccc(cc3)F)C
InChI	InChI	1.06	InChI=1S/C18H18FN3O/c1-3-16(23)20-18-15-6-4-5-12(2)17(15)22(21-18)11-13-7-9-14(19)10-8-13/h4-10H,3,11H2,1-2H3,(H,20,21,23)
InChIKey	InChI	1.06	AFOUNTVOEGAGCF-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.