2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide

C32H33F3N4O3 — CID 71582541

About 2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide

2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide (PubChem CID 71582541) has the molecular formula C32H33F3N4O3 and a molecular weight of 578.64 g/mol. Its IUPAC name is 2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
• PubChem CID: 71582541
• Molecular Formula: C32H33F3N4O3
• Molecular Weight: 578.64 g/mol
• Exact Mass: 578.25
• IUPAC Name: 2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
• SMILES: COc1ccc(-c2ccc(C(=O)N3CCC(Cn4cc5c(C)c(C(=O)NCC(F)(F)F)ccc5n4)CC3)cc2)c(C)c1
• InChI: InChI=1S/C32H33F3N4O3/c1-20-16-25(42-3)8-9-26(20)23-4-6-24(7-5-23)31(41)38-14-12-22(13-15-38)17-39-18-28-21(2)27(10-11-29(28)37-39)30(40)36-19-32(33,34)35/h4-11,16,18,22H,12-15,17,19H2,1-3H3,(H,36,40)
• InChIKey: RWBHZPBVBLPMOY-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.64
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

The IUPAC name of 2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide (CID 71582541) is 2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide.

What is the SMILES notation for 2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

The canonical SMILES for 2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide is COc1ccc(-c2ccc(C(=O)N3CCC(Cn4cc5c(C)c(C(=O)NCC(F)(F)F)ccc5n4)CC3)cc2)c(C)c1.

What is the InChIKey of 2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

The InChIKey is RWBHZPBVBLPMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N4O3/c1-20-16-25(42-3)8-9-26(20)23-4-6-24(7-5-23)31(41)38-14-12-22(13-15-38)17-39-18-28-21(2)27(10-11-29(28)37-39)30(40)36-19-32(33,34)35/h4-11,16,18,22H,12-15,17,19H2,1-3H3,(H,36,40).

What are the key properties of 2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide has a molecular weight of 578.64 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide is sourced from PubChem (CID 71582541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).