carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide

C32H29N3O4 — CID 158743420

About carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide

carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide (PubChem CID 158743420) has the molecular formula C32H29N3O4 and a molecular weight of 519.60 g/mol. Its IUPAC name is carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide.

Molecular Properties

• Compound Name: carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide
• PubChem CID: 158743420
• Molecular Formula: C32H29N3O4
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.22
• IUPAC Name: carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide
• SMILES: COc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)nn3Cc2ccc(-c3ccccc3)cc2)c1.O=C=O
• InChI: InChI=1S/C31H29N3O2.CO2/c1-21(26-10-7-11-28(18-26)36-3)32-31(35)27-16-17-30-29(19-27)22(2)33-34(30)20-23-12-14-25(15-13-23)24-8-5-4-6-9-24;2-1-3/h4-19,21H,20H2,1-3H3,(H,32,35);/t21-;/m0./s1
• InChIKey: IMOXIQWQQNDNQF-BOXHHOBZSA-N
• XLogP: 5.98
• TPSA: 90.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide?

The IUPAC name of carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide (CID 158743420) is carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide.

What is the SMILES notation for carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide?

The canonical SMILES for carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide is COc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)nn3Cc2ccc(-c3ccccc3)cc2)c1.O=C=O.

What is the InChIKey of carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide?

The InChIKey is IMOXIQWQQNDNQF-BOXHHOBZSA-N. The full InChI is InChI=1S/C31H29N3O2.CO2/c1-21(26-10-7-11-28(18-26)36-3)32-31(35)27-16-17-30-29(19-27)22(2)33-34(30)20-23-12-14-25(15-13-23)24-8-5-4-6-9-24;2-1-3/h4-19,21H,20H2,1-3H3,(H,32,35);/t21-;/m0./s1.

What are the key properties of carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide?

carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide has a molecular weight of 519.60 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide is sourced from PubChem (CID 158743420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).