N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide

C38H38F6N10O4 — CID 176641155

About N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide

N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 176641155) has the molecular formula C38H38F6N10O4 and a molecular weight of 812.78 g/mol. Its IUPAC name is N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
• PubChem CID: 176641155
• Molecular Formula: C38H38F6N10O4
• Molecular Weight: 812.78 g/mol
• Exact Mass: 812.30
• IUPAC Name: N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(N3CCN(CC4CCC(n5cc6cc(NC(=O)c7cncc(C(F)(F)F)n7)ccc6n5)CC4)C[C@@H]3C(F)(F)F)c21
• InChI: InChI=1S/C38H38F6N10O4/c1-50-33-27(3-2-4-28(33)54(36(50)58)29-11-12-32(55)48-35(29)57)52-14-13-51(20-31(52)38(42,43)44)18-21-5-8-24(9-6-21)53-19-22-15-23(7-10-25(22)49-53)46-34(56)26-16-45-17-30(47-26)37(39,40)41/h2-4,7,10,15-17,19,21,24,29,31H,5-6,8-9,11-14,18,20H2,1H3,(H,46,56)(H,48,55,57)/t21?,24?,29?,31-/m1/s1
• InChIKey: HURUGYHBSHSPHS-YFGPZXSXSA-N
• XLogP: 5.21
• TPSA: 152.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	812.78
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide?

The IUPAC name of N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide (CID 176641155) is N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(N3CCN(CC4CCC(n5cc6cc(NC(=O)c7cncc(C(F)(F)F)n7)ccc6n5)CC4)C[C@@H]3C(F)(F)F)c21.

What is the InChIKey of N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide?

The InChIKey is HURUGYHBSHSPHS-YFGPZXSXSA-N. The full InChI is InChI=1S/C38H38F6N10O4/c1-50-33-27(3-2-4-28(33)54(36(50)58)29-11-12-32(55)48-35(29)57)52-14-13-51(20-31(52)38(42,43)44)18-21-5-8-24(9-6-21)53-19-22-15-23(7-10-25(22)49-53)46-34(56)26-16-45-17-30(47-26)37(39,40)41/h2-4,7,10,15-17,19,21,24,29,31H,5-6,8-9,11-14,18,20H2,1H3,(H,46,56)(H,48,55,57)/t21?,24?,29?,31-/m1/s1.

What are the key properties of N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide?

N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 812.78 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 176641155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).