N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C42H48F2N8O5 — CID 166472214

About N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 166472214) has the molecular formula C42H48F2N8O5 and a molecular weight of 782.89 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 166472214
• Molecular Formula: C42H48F2N8O5
• Molecular Weight: 782.89 g/mol
• Exact Mass: 782.37
• IUPAC Name: N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC(C)Oc1cc2nc(C3CCC(CN4CCC(c5ccc6c(c5)n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cn2cc1C(=O)Nc1cccc(C(F)F)n1
• InChI: InChI=1S/C42H48F2N8O5/c1-24(2)57-35-20-37-46-31(23-51(37)22-29(35)40(54)47-36-6-4-5-30(45-36)39(43)44)27-9-7-25(8-10-27)21-50-17-15-26(16-18-50)28-11-12-32-34(19-28)49(3)42(56)52(32)33-13-14-38(53)48-41(33)55/h4-6,11-12,19-20,22-27,33,39H,7-10,13-18,21H2,1-3H3,(H,45,47,54)(H,48,53,55)
• InChIKey: AXZOJUYNFYMPFA-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 144.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	782.89
LogP ≤ 5	6.49
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 N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 166472214) is N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C3CCC(CN4CCC(c5ccc6c(c5)n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cn2cc1C(=O)Nc1cccc(C(F)F)n1.

What is the InChIKey of N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is AXZOJUYNFYMPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48F2N8O5/c1-24(2)57-35-20-37-46-31(23-51(37)22-29(35)40(54)47-36-6-4-5-30(45-36)39(43)44)27-9-7-25(8-10-27)21-50-17-15-26(16-18-50)28-11-12-32-34(19-28)49(3)42(56)52(32)33-13-14-38(53)48-41(33)55/h4-6,11-12,19-20,22-27,33,39H,7-10,13-18,21H2,1-3H3,(H,45,47,54)(H,48,53,55).

What are the key properties of N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 782.89 g/mol, XLogP of 6.49, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 166472214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).