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

C23H24F2N4O4 — CID 155443924

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

N-[2-(difluoromethoxy)-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 155443924) has the molecular formula C23H24F2N4O4 and a molecular weight of 458.47 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-3-pyridinyl]-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-[2-(difluoromethoxy)-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 155443924
• Molecular Formula: C23H24F2N4O4
• Molecular Weight: 458.47 g/mol
• Exact Mass: 458.18
• IUPAC Name: N-[2-(difluoromethoxy)-3-pyridinyl]-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)cn2cc1C(=O)Nc1cccnc1OC(F)F
• InChI: InChI=1S/C23H24F2N4O4/c1-13(2)32-16-7-18-28-17(23-10-22(3,11-23)31-12-23)9-29(18)8-14(16)19(30)27-15-5-4-6-26-20(15)33-21(24)25/h4-9,13,21H,10-12H2,1-3H3,(H,27,30)
• InChIKey: GWSQBRALWLGMLC-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 86.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.47
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-3-pyridinyl]-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-[2-(difluoromethoxy)-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 155443924) is N-[2-(difluoromethoxy)-3-pyridinyl]-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-[2-(difluoromethoxy)-3-pyridinyl]-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-[2-(difluoromethoxy)-3-pyridinyl]-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)cn2cc1C(=O)Nc1cccnc1OC(F)F.

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

The InChIKey is GWSQBRALWLGMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O4/c1-13(2)32-16-7-18-28-17(23-10-22(3,11-23)31-12-23)9-29(18)8-14(16)19(30)27-15-5-4-6-26-20(15)33-21(24)25/h4-9,13,21H,10-12H2,1-3H3,(H,27,30).

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

N-[2-(difluoromethoxy)-3-pyridinyl]-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 458.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethoxy)-3-pyridinyl]-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 155443924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).