1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide

C24H23N3O2 — CID 53084634

IUPAC1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)NC(C)c4ccccc4)cc32)c1
InChIInChI=1S/C24H23N3O2/c1-17(19-8-4-3-5-9-19)26-24(28)20-11-12-21-15-25-27(23(21)14-20)16-18-7-6-10-22(13-18)29-2/h3-15,17H,16H2,1-2H3,(H,26,28)
InChIKeyOFVISPLMBQZIRN-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.58
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide

1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide (PubChem CID 53084634) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
PubChem CID53084634
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)NC(C)c4ccccc4)cc32)c1
InChIInChI=1S/C24H23N3O2/c1-17(19-8-4-3-5-9-19)26-24(28)20-11-12-21-15-25-27(23(21)14-20)16-18-7-6-10-22(13-18)29-2/h3-15,17H,16H2,1-2H3,(H,26,28)
InChIKeyOFVISPLMBQZIRN-UHFFFAOYSA-N
XLogP4.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.58
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
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
N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95056034
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
CID 95073206
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
N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53007569
N-[(3-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53034360
1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide
CID 53034352
1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide
CID 95073114
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084655

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide (CID 53084634) is 1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide is COc1cccc(Cn2ncc3ccc(C(=O)NC(C)c4ccccc4)cc32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide?
The InChIKey is OFVISPLMBQZIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17(19-8-4-3-5-9-19)26-24(28)20-11-12-21-15-25-27(23(21)14-20)16-18-7-6-10-22(13-18)29-2/h3-15,17H,16H2,1-2H3,(H,26,28).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide is sourced from PubChem (CID 53084634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).