N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C39H41F3N8O4 — CID 164566978

About N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164566978) has the molecular formula C39H41F3N8O4 and a molecular weight of 742.80 g/mol. Its IUPAC name is N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 164566978
• Molecular Formula: C39H41F3N8O4
• Molecular Weight: 742.80 g/mol
• Exact Mass: 742.32
• IUPAC Name: N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: Cc1cc2nn(C3CC(CN4CCC(c5c(C)ccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C39H41F3N8O4/c1-21-7-8-30-35(47(3)38(54)50(30)31-9-10-33(51)45-37(31)53)34(21)24-11-13-48(14-12-24)19-23-16-26(17-23)49-20-25-18-28(22(2)15-29(25)46-49)44-36(52)27-5-4-6-32(43-27)39(40,41)42/h4-8,15,18,20,23-24,26,31H,9-14,16-17,19H2,1-3H3,(H,44,52)(H,45,51,53)
• InChIKey: QOYXSIPFNCVZKW-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 136.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.80
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 164566978) is N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cc1cc2nn(C3CC(CN4CCC(c5c(C)ccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.

What is the InChIKey of N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is QOYXSIPFNCVZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41F3N8O4/c1-21-7-8-30-35(47(3)38(54)50(30)31-9-10-33(51)45-37(31)53)34(21)24-11-13-48(14-12-24)19-23-16-26(17-23)49-20-25-18-28(22(2)15-29(25)46-49)44-36(52)27-5-4-6-32(43-27)39(40,41)42/h4-8,15,18,20,23-24,26,31H,9-14,16-17,19H2,1-3H3,(H,44,52)(H,45,51,53).

What are the key properties of N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 742.80 g/mol, XLogP of 5.78, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[[4-[1-(2,6-dioxopiperidin-3-yl)-3,5-dimethyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164566978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).