N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C23H23F3N4O4 — CID 167420220

About N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167420220) has the molecular formula C23H23F3N4O4 and a molecular weight of 476.46 g/mol. Its IUPAC name is N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 167420220
• Molecular Formula: C23H23F3N4O4
• Molecular Weight: 476.46 g/mol
• Exact Mass: 476.17
• IUPAC Name: N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC(C)Oc1cc2nc(C34COC(C)(C3)C4)c(F)n2cc1C(=O)Nc1cccn(C(F)F)c1=O
• InChI: InChI=1S/C23H23F3N4O4/c1-12(2)34-15-7-16-28-17(23-9-22(3,10-23)33-11-23)18(24)30(16)8-13(15)19(31)27-14-5-4-6-29(20(14)32)21(25)26/h4-8,12,21H,9-11H2,1-3H3,(H,27,31)
• InChIKey: AMEXOEWWSXCFFE-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.46
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 167420220) is N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C34COC(C)(C3)C4)c(F)n2cc1C(=O)Nc1cccn(C(F)F)c1=O.

What is the InChIKey of N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is AMEXOEWWSXCFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4/c1-12(2)34-15-7-16-28-17(23-9-22(3,10-23)33-11-23)18(24)30(16)8-13(15)19(31)27-14-5-4-6-29(20(14)32)21(25)26/h4-8,12,21H,9-11H2,1-3H3,(H,27,31).

What are the key properties of N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 476.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-3-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167420220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).