1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide

C23H19ClFN3O — CID 53084611

IUPAC1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C23H19ClFN3O/c1-15(17-6-10-21(25)11-7-17)27-23(29)18-4-5-19-13-26-28(22(19)12-18)14-16-2-8-20(24)9-3-16/h2-13,15H,14H2,1H3,(H,27,29)
InChIKeyWHQSHAYKDWKOGC-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.37
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide

1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide (PubChem CID 53084611) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide
PubChem CID53084611
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C23H19ClFN3O/c1-15(17-6-10-21(25)11-7-17)27-23(29)18-4-5-19-13-26-28(22(19)12-18)14-16-2-8-20(24)9-3-16/h2-13,15H,14H2,1H3,(H,27,29)
InChIKeyWHQSHAYKDWKOGC-UHFFFAOYSA-N
XLogP5.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide
CID 95073114
1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
CID 95073144
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
CID 95073157
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
CID 95073206
1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide
CID 95073148
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073124
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-[(1S)-1-[[1-[(4-chlorophenyl)methyl]indazole-7-carbonyl]amino]ethyl]benzoic acid
CID 58125332
1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
CID 53084634
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073129
4-[(1S)-1-[[1-[(6-fluoronaphthalen-2-yl)methyl]-5-phenylindazole-7-carbonyl]amino]ethyl]benzoic acid
CID 176772170
1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
CID 53034337

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide (CID 53084611) is 1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide is CC(NC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)c1ccc(F)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide?
The InChIKey is WHQSHAYKDWKOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c1-15(17-6-10-21(25)11-7-17)27-23(29)18-4-5-19-13-26-28(22(19)12-18)14-16-2-8-20(24)9-3-16/h2-13,15H,14H2,1H3,(H,27,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide has a molecular weight of 407.88 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide is sourced from PubChem (CID 53084611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).