carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide

C34H33N3O3 — CID 157403515

About carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide

carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide (PubChem CID 157403515) has the molecular formula C34H33N3O3 and a molecular weight of 531.66 g/mol. Its IUPAC name is carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide.

Molecular Properties

• Compound Name: carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide
• PubChem CID: 157403515
• Molecular Formula: C34H33N3O3
• Molecular Weight: 531.66 g/mol
• Exact Mass: 531.25
• IUPAC Name: carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide
• SMILES: Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.O=C=O
• InChI: InChI=1S/C33H33N3O.CO2/c1-22(2)28-11-8-12-29(19-28)23(3)34-33(37)30-17-18-32-31(20-30)24(4)35-36(32)21-25-13-15-27(16-14-25)26-9-6-5-7-10-26;2-1-3/h5-20,22-23H,21H2,1-4H3,(H,34,37);/t23-;/m0./s1
• InChIKey: BNLIUTDYZJDLNH-BQAIUKQQSA-N
• XLogP: 7.09
• TPSA: 81.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.66
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide?

The IUPAC name of carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide (CID 157403515) is carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide.

What is the SMILES notation for carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide?

The canonical SMILES for carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide is Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.O=C=O.

What is the InChIKey of carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide?

The InChIKey is BNLIUTDYZJDLNH-BQAIUKQQSA-N. The full InChI is InChI=1S/C33H33N3O.CO2/c1-22(2)28-11-8-12-29(19-28)23(3)34-33(37)30-17-18-32-31(20-30)24(4)35-36(32)21-25-13-15-27(16-14-25)26-9-6-5-7-10-26;2-1-3/h5-20,22-23H,21H2,1-4H3,(H,34,37);/t23-;/m0./s1.

What are the key properties of carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide?

carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide has a molecular weight of 531.66 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide is sourced from PubChem (CID 157403515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).