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

C40H45ClN8O6 — CID 167156561

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

5-chloro-N-[2-[4-[[4-[1-[(3S)-2,6-dioxopiperidin-3-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide (PubChem CID 167156561) has the molecular formula C40H45ClN8O6 and a molecular weight of 769.30 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-[[4-[1-[(3S)-2,6-dioxopiperidin-3-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-[4-[[4-[1-[(3S)-2,6-dioxopiperidin-3-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide
• PubChem CID: 167156561
• Molecular Formula: C40H45ClN8O6
• Molecular Weight: 769.30 g/mol
• Exact Mass: 768.32
• IUPAC Name: 5-chloro-N-[2-[4-[[4-[1-[(3S)-2,6-dioxopiperidin-3-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN4CCC(c5c(OC)ccc6c5n(C)c(=O)n6[C@H]5CCC(=O)NC5=O)CC4)CC3)cc2cc1NC(=O)c1cncc(Cl)c1
• InChI: InChI=1S/C40H45ClN8O6/c1-46-37-31(49(40(46)53)32-9-11-35(50)44-39(32)52)8-10-33(54-2)36(37)24-12-14-47(15-13-24)21-23-4-6-28(7-5-23)48-22-26-17-30(34(55-3)18-29(26)45-48)43-38(51)25-16-27(41)20-42-19-25/h8,10,16-20,22-24,28,32H,4-7,9,11-15,21H2,1-3H3,(H,43,51)(H,44,50,52)/t23?,28?,32-/m0/s1
• InChIKey: BORYWPCGGCFSGH-XRKUEIROSA-N
• XLogP: 5.60
• TPSA: 154.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	769.30
LogP ≤ 5	5.60
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 5-chloro-N-[2-[4-[[4-[1-[(3S)-2,6-dioxopiperidin-3-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[2-[4-[[4-[1-[(3S)-2,6-dioxopiperidin-3-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide (CID 167156561) is 5-chloro-N-[2-[4-[[4-[1-[(3S)-2,6-dioxopiperidin-3-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide.

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

The canonical SMILES for 5-chloro-N-[2-[4-[[4-[1-[(3S)-2,6-dioxopiperidin-3-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide is COc1cc2nn(C3CCC(CN4CCC(c5c(OC)ccc6c5n(C)c(=O)n6[C@H]5CCC(=O)NC5=O)CC4)CC3)cc2cc1NC(=O)c1cncc(Cl)c1.

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

The InChIKey is BORYWPCGGCFSGH-XRKUEIROSA-N. The full InChI is InChI=1S/C40H45ClN8O6/c1-46-37-31(49(40(46)53)32-9-11-35(50)44-39(32)52)8-10-33(54-2)36(37)24-12-14-47(15-13-24)21-23-4-6-28(7-5-23)48-22-26-17-30(34(55-3)18-29(26)45-48)43-38(51)25-16-27(41)20-42-19-25/h8,10,16-20,22-24,28,32H,4-7,9,11-15,21H2,1-3H3,(H,43,51)(H,44,50,52)/t23?,28?,32-/m0/s1.

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

5-chloro-N-[2-[4-[[4-[1-[(3S)-2,6-dioxopiperidin-3-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide has a molecular weight of 769.30 g/mol, XLogP of 5.60, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-[4-[[4-[1-[(3S)-2,6-dioxopiperidin-3-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167156561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).