5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide

C40H42FN9O5 — CID 176575206

About 5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide

5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide (PubChem CID 176575206) has the molecular formula C40H42FN9O5 and a molecular weight of 747.83 g/mol. Its IUPAC name is 5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide
• PubChem CID: 176575206
• Molecular Formula: C40H42FN9O5
• Molecular Weight: 747.83 g/mol
• Exact Mass: 747.33
• IUPAC Name: 5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide
• SMILES: COc1cc2nc(C3CCC(CN4CC[C@@H](c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)[C@H](F)C4)CC3)cn2cc1NC(=O)c1cncc(C#N)c1
• InChI: InChI=1S/C40H42FN9O5/c1-47-37-28(4-3-5-32(37)50(40(47)54)33-10-11-36(51)46-39(33)53)27-12-13-48(20-29(27)41)19-23-6-8-25(9-7-23)30-21-49-22-31(34(55-2)15-35(49)44-30)45-38(52)26-14-24(16-42)17-43-18-26/h3-5,14-15,17-18,21-23,25,27,29,33H,6-13,19-20H2,1-2H3,(H,45,52)(H,46,51,53)/t23?,25?,27-,29+,33?/m0/s1
• InChIKey: VHZFQYLXBPIVCW-PHRDHLHTSA-N
• XLogP: 4.59
• TPSA: 168.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.83
LogP ≤ 5	4.59
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-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide?

The IUPAC name of 5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide (CID 176575206) is 5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide is COc1cc2nc(C3CCC(CN4CC[C@@H](c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)[C@H](F)C4)CC3)cn2cc1NC(=O)c1cncc(C#N)c1.

What is the InChIKey of 5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide?

The InChIKey is VHZFQYLXBPIVCW-PHRDHLHTSA-N. The full InChI is InChI=1S/C40H42FN9O5/c1-47-37-28(4-3-5-32(37)50(40(47)54)33-10-11-36(51)46-39(33)53)27-12-13-48(20-29(27)41)19-23-6-8-25(9-7-23)30-21-49-22-31(34(55-2)15-35(49)44-30)45-38(52)26-14-24(16-42)17-43-18-26/h3-5,14-15,17-18,21-23,25,27,29,33H,6-13,19-20H2,1-2H3,(H,45,52)(H,46,51,53)/t23?,25?,27-,29+,33?/m0/s1.

What are the key properties of 5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide?

5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide has a molecular weight of 747.83 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176575206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).