N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide

C40H45F2N9O5 — CID 155449203

About N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide

N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide (PubChem CID 155449203) has the molecular formula C40H45F2N9O5 and a molecular weight of 769.85 g/mol. Its IUPAC name is N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide
• PubChem CID: 155449203
• Molecular Formula: C40H45F2N9O5
• Molecular Weight: 769.85 g/mol
• Exact Mass: 769.35
• IUPAC Name: N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN(C)C4CCN(c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1NC(=O)c1ncc(F)cc1F
• InChI: InChI=1S/C40H45F2N9O5/c1-47(26-13-15-49(16-14-26)31-5-4-6-32-37(31)48(2)40(55)51(32)33-11-12-35(52)45-38(33)53)21-23-7-9-27(10-8-23)50-22-24-17-30(34(56-3)19-29(24)46-50)44-39(54)36-28(42)18-25(41)20-43-36/h4-6,17-20,22-23,26-27,33H,7-16,21H2,1-3H3,(H,44,54)(H,45,52,53)
• InChIKey: KEHHAGBVDNQLSO-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 148.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.85
LogP ≤ 5	4.93
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-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide (CID 155449203) is N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide is COc1cc2nn(C3CCC(CN(C)C4CCN(c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1NC(=O)c1ncc(F)cc1F.

What is the InChIKey of N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide?

The InChIKey is KEHHAGBVDNQLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H45F2N9O5/c1-47(26-13-15-49(16-14-26)31-5-4-6-32-37(31)48(2)40(55)51(32)33-11-12-35(52)45-38(33)53)21-23-7-9-27(10-8-23)50-22-24-17-30(34(56-3)19-29(24)46-50)44-39(54)36-28(42)18-25(41)20-43-36/h4-6,17-20,22-23,26-27,33H,7-16,21H2,1-3H3,(H,44,54)(H,45,52,53).

What are the key properties of N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide?

N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide has a molecular weight of 769.85 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 155449203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).