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

C40H45ClN8O5 — CID 167156463

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

5-chloro-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-3-carboxamide (PubChem CID 167156463) has the molecular formula C40H45ClN8O5 and a molecular weight of 753.30 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 167156463
• Molecular Formula: C40H45ClN8O5
• Molecular Weight: 753.30 g/mol
• Exact Mass: 752.32
• IUPAC Name: 5-chloro-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-3-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN4CCC(c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1NC(=O)c1cnc(C)c(Cl)c1
• InChI: InChI=1S/C40H45ClN8O5/c1-23-30(41)17-26(20-42-23)38(51)43-32-18-27-22-48(45-31(27)19-35(32)54-3)28-9-7-24(8-10-28)21-47-15-13-25(14-16-47)29-5-4-6-33-37(29)46(2)40(53)49(33)34-11-12-36(50)44-39(34)52/h4-6,17-20,22,24-25,28,34H,7-16,21H2,1-3H3,(H,43,51)(H,44,50,52)
• InChIKey: SSYPRZVTAVGDEL-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 145.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	753.30
LogP ≤ 5	5.90
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 5-chloro-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-3-carboxamide (CID 167156463) is 5-chloro-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-3-carboxamide.

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

The canonical SMILES for 5-chloro-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-3-carboxamide is COc1cc2nn(C3CCC(CN4CCC(c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1NC(=O)c1cnc(C)c(Cl)c1.

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

The InChIKey is SSYPRZVTAVGDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H45ClN8O5/c1-23-30(41)17-26(20-42-23)38(51)43-32-18-27-22-48(45-31(27)19-35(32)54-3)28-9-7-24(8-10-28)21-47-15-13-25(14-16-47)29-5-4-6-33-37(29)46(2)40(53)49(33)34-11-12-36(50)44-39(34)52/h4-6,17-20,22,24-25,28,34H,7-16,21H2,1-3H3,(H,43,51)(H,44,50,52).

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

5-chloro-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 753.30 g/mol, XLogP of 5.90, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 167156463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).