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

C21H20F2N4O4 — CID 167420134

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

7-(difluoromethoxy)-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167420134) has the molecular formula C21H20F2N4O4 and a molecular weight of 430.41 g/mol. Its IUPAC name is 7-(difluoromethoxy)-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 7-(difluoromethoxy)-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 167420134
• Molecular Formula: C21H20F2N4O4
• Molecular Weight: 430.41 g/mol
• Exact Mass: 430.15
• IUPAC Name: 7-(difluoromethoxy)-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: COc1ncccc1NC(=O)c1cn2cc(C34COC(C)(C3)C4)nc2cc1OC(F)F
• InChI: InChI=1S/C21H20F2N4O4/c1-20-9-21(10-20,11-30-20)15-8-27-7-12(14(31-19(22)23)6-16(27)26-15)17(28)25-13-4-3-5-24-18(13)29-2/h3-8,19H,9-11H2,1-2H3,(H,25,28)
• InChIKey: FJAHTCIQUHVYHY-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 86.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.41
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-(difluoromethoxy)-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 167420134) is 7-(difluoromethoxy)-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 7-(difluoromethoxy)-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 7-(difluoromethoxy)-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide is COc1ncccc1NC(=O)c1cn2cc(C34COC(C)(C3)C4)nc2cc1OC(F)F.

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

The InChIKey is FJAHTCIQUHVYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O4/c1-20-9-21(10-20,11-30-20)15-8-27-7-12(14(31-19(22)23)6-16(27)26-15)17(28)25-13-4-3-5-24-18(13)29-2/h3-8,19H,9-11H2,1-2H3,(H,25,28).

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

7-(difluoromethoxy)-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 430.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(difluoromethoxy)-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167420134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).