2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide

C31H29N3O3 — CID 98312566

IUPAC2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(-c2nn(-c3ccccc3C)c3c2C(C)=CC(=O)[C@H]3CC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C31H29N3O3/c1-19-9-5-7-11-25(19)32-28(36)18-24-27(35)17-21(3)29-30(22-13-15-23(37-4)16-14-22)33-34(31(24)29)26-12-8-6-10-20(26)2/h5-17,24H,18H2,1-4H3,(H,32,36)/t24-/m1/s1
InChIKeyATTRQPWITPJRPM-XMMPIXPASA-N
MW491.59 g/mol
LogP6.26
Rot. Bonds6

About 2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide

2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide (PubChem CID 98312566) has the molecular formula C31H29N3O3 and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide
PubChem CID98312566
Molecular FormulaC31H29N3O3
Molecular Weight491.59 g/mol
Exact Mass491.22
IUPAC Name2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(-c2nn(-c3ccccc3C)c3c2C(C)=CC(=O)[C@H]3CC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C31H29N3O3/c1-19-9-5-7-11-25(19)32-28(36)18-24-27(35)17-21(3)29-30(22-13-15-23(37-4)16-14-22)33-34(31(24)29)26-12-8-6-10-20(26)2/h5-17,24H,18H2,1-4H3,(H,32,36)/t24-/m1/s1
InChIKeyATTRQPWITPJRPM-XMMPIXPASA-N
XLogP6.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide (CID 98312566) is 2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide is COc1ccc(-c2nn(-c3ccccc3C)c3c2C(C)=CC(=O)[C@H]3CC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is ATTRQPWITPJRPM-XMMPIXPASA-N. The full InChI is InChI=1S/C31H29N3O3/c1-19-9-5-7-11-25(19)32-28(36)18-24-27(35)17-21(3)29-30(22-13-15-23(37-4)16-14-22)33-34(31(24)29)26-12-8-6-10-20(26)2/h5-17,24H,18H2,1-4H3,(H,32,36)/t24-/m1/s1.
What are the key properties of 2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide?
2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 491.59 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 98312566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).