N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide

C43H49N9O6 — CID 167375670

About N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide

N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 167375670) has the molecular formula C43H49N9O6 and a molecular weight of 787.92 g/mol. Its IUPAC name is N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide
• PubChem CID: 167375670
• Molecular Formula: C43H49N9O6
• Molecular Weight: 787.92 g/mol
• Exact Mass: 787.38
• IUPAC Name: N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C3CCN(CC4CCC(n5cc6cc(NC(=O)c7ccccn7)c(OC[C@H]7CCC(=O)N7)cc6n5)CC4)CC3)c21
• InChI: InChI=1S/C43H49N9O6/c1-49-40-31(5-4-7-35(40)52(43(49)57)36-13-15-39(54)47-42(36)56)27-16-19-50(20-17-27)23-26-8-11-30(12-9-26)51-24-28-21-34(46-41(55)32-6-2-3-18-44-32)37(22-33(28)48-51)58-25-29-10-14-38(53)45-29/h2-7,18,21-22,24,26-27,29-30,36H,8-17,19-20,23,25H2,1H3,(H,45,53)(H,46,55)(H,47,54,56)/t26?,29-,30?,36?/m1/s1
• InChIKey: AVTPLJBPFAGLAB-FCGHOWGJSA-N
• XLogP: 4.58
• TPSA: 174.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.92
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	3
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-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide (CID 167375670) is N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide.

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

The canonical SMILES for N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C3CCN(CC4CCC(n5cc6cc(NC(=O)c7ccccn7)c(OC[C@H]7CCC(=O)N7)cc6n5)CC4)CC3)c21.

What is the InChIKey of N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide?

The InChIKey is AVTPLJBPFAGLAB-FCGHOWGJSA-N. The full InChI is InChI=1S/C43H49N9O6/c1-49-40-31(5-4-7-35(40)52(43(49)57)36-13-15-39(54)47-42(36)56)27-16-19-50(20-17-27)23-26-8-11-30(12-9-26)51-24-28-21-34(46-41(55)32-6-2-3-18-44-32)37(22-33(28)48-51)58-25-29-10-14-38(53)45-29/h2-7,18,21-22,24,26-27,29-30,36H,8-17,19-20,23,25H2,1H3,(H,45,53)(H,46,55)(H,47,54,56)/t26?,29-,30?,36?/m1/s1.

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

N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 787.92 g/mol, XLogP of 4.58, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167375670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).