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

C39H42F3N9O4 — CID 164566908

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

N-[2-[4-[[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164566908) has the molecular formula C39H42F3N9O4 and a molecular weight of 757.82 g/mol. Its IUPAC name is N-[2-[4-[[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 164566908
• Molecular Formula: C39H42F3N9O4
• Molecular Weight: 757.82 g/mol
• Exact Mass: 757.33
• IUPAC Name: N-[2-[4-[[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: Cc1cc2nn(C3CCC(CN4CCN(c5cccc6c5n(C)c(=O)n6[C@@H]5CCC(=O)NC5=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C39H42F3N9O4/c1-23-19-29-25(20-28(23)44-36(53)27-5-3-8-33(43-27)39(40,41)42)22-50(46-29)26-11-9-24(10-12-26)21-48-15-17-49(18-16-48)30-6-4-7-31-35(30)47(2)38(55)51(31)32-13-14-34(52)45-37(32)54/h3-8,19-20,22,24,26,32H,9-18,21H2,1-2H3,(H,44,53)(H,45,52,54)/t24?,26?,32-/m1/s1
• InChIKey: JRXOULPQNDSKDA-XGHGPEJISA-N
• XLogP: 5.20
• TPSA: 139.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	757.82
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-[[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 164566908) is N-[2-[4-[[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

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

The canonical SMILES for N-[2-[4-[[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cc1cc2nn(C3CCC(CN4CCN(c5cccc6c5n(C)c(=O)n6[C@@H]5CCC(=O)NC5=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.

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

The InChIKey is JRXOULPQNDSKDA-XGHGPEJISA-N. The full InChI is InChI=1S/C39H42F3N9O4/c1-23-19-29-25(20-28(23)44-36(53)27-5-3-8-33(43-27)39(40,41)42)22-50(46-29)26-11-9-24(10-12-26)21-48-15-17-49(18-16-48)30-6-4-7-31-35(30)47(2)38(55)51(31)32-13-14-34(52)45-37(32)54/h3-8,19-20,22,24,26,32H,9-18,21H2,1-2H3,(H,44,53)(H,45,52,54)/t24?,26?,32-/m1/s1.

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

N-[2-[4-[[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 757.82 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164566908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).