N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C42H49F2N7O5 — CID 166472055

About N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 166472055) has the molecular formula C42H49F2N7O5 and a molecular weight of 769.89 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 166472055
• Molecular Formula: C42H49F2N7O5
• Molecular Weight: 769.89 g/mol
• Exact Mass: 769.38
• IUPAC Name: N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC(C)Oc1cc2nc(C3CCC(CN4CC5(CCCN5Cc5ccc(OC6CCC(=O)NC6=O)cc5)C4)CC3)cn2cc1C(=O)Nc1cccc(C(F)F)n1
• InChI: InChI=1S/C42H49F2N7O5/c1-26(2)55-35-19-37-46-33(23-50(37)22-31(35)40(53)47-36-6-3-5-32(45-36)39(43)44)29-11-7-27(8-12-29)20-49-24-42(25-49)17-4-18-51(42)21-28-9-13-30(14-10-28)56-34-15-16-38(52)48-41(34)54/h3,5-6,9-10,13-14,19,22-23,26-27,29,34,39H,4,7-8,11-12,15-18,20-21,24-25H2,1-2H3,(H,45,47,53)(H,48,52,54)
• InChIKey: VBJFWNLQIRBORM-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 130.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.89
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 166472055) is N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-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-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C3CCC(CN4CC5(CCCN5Cc5ccc(OC6CCC(=O)NC6=O)cc5)C4)CC3)cn2cc1C(=O)Nc1cccc(C(F)F)n1.

What is the InChIKey of N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is VBJFWNLQIRBORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H49F2N7O5/c1-26(2)55-35-19-37-46-33(23-50(37)22-31(35)40(53)47-36-6-3-5-32(45-36)39(43)44)29-11-7-27(8-12-29)20-49-24-42(25-49)17-4-18-51(42)21-28-9-13-30(14-10-28)56-34-15-16-38(52)48-41(34)54/h3,5-6,9-10,13-14,19,22-23,26-27,29,34,39H,4,7-8,11-12,15-18,20-21,24-25H2,1-2H3,(H,45,47,53)(H,48,52,54).

What are the key properties of N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 769.89 g/mol, XLogP of 6.51, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 166472055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).