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

C25H24ClN3O — CID 95073114

IUPAC1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide
SMILESCCc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1
InChIInChI=1S/C25H24ClN3O/c1-3-18-4-8-20(9-5-18)17(2)28-25(30)21-10-11-22-15-27-29(24(22)14-21)16-19-6-12-23(26)13-7-19/h4-15,17H,3,16H2,1-2H3,(H,28,30)/t17-/m0/s1
InChIKeyVVAVUJFRKXOESH-KRWDZBQOSA-N
MW417.94 g/mol
LogP5.79
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide (PubChem CID 95073114) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide
PubChem CID95073114
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide
SMILESCCc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1
InChIInChI=1S/C25H24ClN3O/c1-3-18-4-8-20(9-5-18)17(2)28-25(30)21-10-11-22-15-27-29(24(22)14-21)16-19-6-12-23(26)13-7-19/h4-15,17H,3,16H2,1-2H3,(H,28,30)/t17-/m0/s1
InChIKeyVVAVUJFRKXOESH-KRWDZBQOSA-N
XLogP5.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide
CID 53084611
1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
CID 95073144
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
CID 95073206
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
CID 95073157
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073124
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
1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
CID 53034337
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073131
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63483320
1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide
CID 95073148

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide (CID 95073114) is 1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide is CCc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide?
The InChIKey is VVAVUJFRKXOESH-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-3-18-4-8-20(9-5-18)17(2)28-25(30)21-10-11-22-15-27-29(24(22)14-21)16-19-6-12-23(26)13-7-19/h4-15,17H,3,16H2,1-2H3,(H,28,30)/t17-/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide has a molecular weight of 417.94 g/mol, XLogP of 5.79, 6 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-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide is sourced from PubChem (CID 95073114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).