N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C23H21F5N4O6 — CID 154998305

About N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998305) has the molecular formula C23H21F5N4O6 and a molecular weight of 544.43 g/mol. Its IUPAC name is N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 154998305
• Molecular Formula: C23H21F5N4O6
• Molecular Weight: 544.43 g/mol
• Exact Mass: 544.14
• IUPAC Name: N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: COc1ncccc1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2cc1OC(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H20F2N4O4.C2HF3O2/c1-20-9-21(10-20,11-30-20)15-8-27-7-13(14(31-19(22)23)6-16(27)26-15)25-17(28)12-4-3-5-24-18(12)29-2;3-2(4,5)1(6)7/h3-8,19H,9-11H2,1-2H3,(H,25,28);(H,6,7)
• InChIKey: HKTFWOWCKVGNBX-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 124.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.43
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 154998305) is N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid is COc1ncccc1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2cc1OC(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is HKTFWOWCKVGNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O4.C2HF3O2/c1-20-9-21(10-20,11-30-20)15-8-27-7-13(14(31-19(22)23)6-16(27)26-15)25-17(28)12-4-3-5-24-18(12)29-2;3-2(4,5)1(6)7/h3-8,19H,9-11H2,1-2H3,(H,25,28);(H,6,7).

What are the key properties of N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 544.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).