1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide

C24H22ClN3O2 — CID 95073206

IUPAC1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)cc1
InChIInChI=1S/C24H22ClN3O2/c1-16(18-8-10-22(30-2)11-9-18)27-24(29)19-6-7-20-14-26-28(23(20)13-19)15-17-4-3-5-21(25)12-17/h3-14,16H,15H2,1-2H3,(H,27,29)/t16-/m1/s1
InChIKeyBXEXQAWKBDXILR-MRXNPFEDSA-N
MW419.91 g/mol
LogP5.24
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide

1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide (PubChem CID 95073206) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
PubChem CID95073206
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)cc1
InChIInChI=1S/C24H22ClN3O2/c1-16(18-8-10-22(30-2)11-9-18)27-24(29)19-6-7-20-14-26-28(23(20)13-19)15-17-4-3-5-21(25)12-17/h3-14,16H,15H2,1-2H3,(H,27,29)/t16-/m1/s1
InChIKeyBXEXQAWKBDXILR-MRXNPFEDSA-N
XLogP5.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073124
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
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073131
1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide
CID 95073114
N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95056034
1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide
CID 53084611
1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide
CID 95073139
1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
CID 95073144
[1-[(3-chlorophenyl)methyl]indazol-6-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53012817
1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide
CID 53084776
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
CID 95073157

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide (CID 95073206) is 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide is COc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide?
The InChIKey is BXEXQAWKBDXILR-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-16(18-8-10-22(30-2)11-9-18)27-24(29)19-6-7-20-14-26-28(23(20)13-19)15-17-4-3-5-21(25)12-17/h3-14,16H,15H2,1-2H3,(H,27,29)/t16-/m1/s1.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide has a molecular weight of 419.91 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide is sourced from PubChem (CID 95073206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).