N-[2-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C39H39ClF4N8O4 — CID 164567127

About N-[2-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164567127) has the molecular formula C39H39ClF4N8O4 and a molecular weight of 795.24 g/mol. Its IUPAC name is N-[2-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 164567127
• Molecular Formula: C39H39ClF4N8O4
• Molecular Weight: 795.24 g/mol
• Exact Mass: 794.27
• IUPAC Name: N-[2-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2cc(Cl)cc(C3CCN(CC4CCC(n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(F)cc6n5)CC4)CC3)c21
• InChI: InChI=1S/C39H39ClF4N8O4/c1-49-35-26(16-24(40)17-32(35)52(38(49)56)31-9-10-34(53)47-37(31)55)22-11-13-50(14-12-22)19-21-5-7-25(8-6-21)51-20-23-15-30(27(41)18-29(23)48-51)46-36(54)28-3-2-4-33(45-28)39(42,43)44/h2-4,15-18,20-22,25,31H,5-14,19H2,1H3,(H,46,54)(H,47,53,55)
• InChIKey: POCIKOWGTWRVFF-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 136.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.24
LogP ≤ 5	6.74
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-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 164567127) is N-[2-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

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

The canonical SMILES for N-[2-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cc(Cl)cc(C3CCN(CC4CCC(n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(F)cc6n5)CC4)CC3)c21.

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

The InChIKey is POCIKOWGTWRVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39ClF4N8O4/c1-49-35-26(16-24(40)17-32(35)52(38(49)56)31-9-10-34(53)47-37(31)55)22-11-13-50(14-12-22)19-21-5-7-25(8-6-21)51-20-23-15-30(27(41)18-29(23)48-51)46-36(54)28-3-2-4-33(45-28)39(42,43)44/h2-4,15-18,20-22,25,31H,5-14,19H2,1H3,(H,46,54)(H,47,53,55).

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

N-[2-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 795.24 g/mol, XLogP of 6.74, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164567127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).