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

C23H21F5N4O4 — CID 154998219

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

N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998219) has the molecular formula C23H21F5N4O4 and a molecular weight of 512.44 g/mol. Its IUPAC name is N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 154998219
• Molecular Formula: C23H21F5N4O4
• Molecular Weight: 512.44 g/mol
• Exact Mass: 512.15
• IUPAC Name: N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1cccc(C(=O)Nc2cn3cc(C45COC(C)(C4)C5)nc3cc2C(F)F)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H20F2N4O2.C2HF3O2/c1-12-4-3-5-14(24-12)19(28)25-15-7-27-8-16(21-9-20(2,10-21)29-11-21)26-17(27)6-13(15)18(22)23;3-2(4,5)1(6)7/h3-8,18H,9-11H2,1-2H3,(H,25,28);(H,6,7)
• InChIKey: FVAANEFGJXUPPF-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 105.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.44
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998219) is N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1cccc(C(=O)Nc2cn3cc(C45COC(C)(C4)C5)nc3cc2C(F)F)n1.O=C(O)C(F)(F)F.

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

The InChIKey is FVAANEFGJXUPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2.C2HF3O2/c1-12-4-3-5-14(24-12)19(28)25-15-7-27-8-16(21-9-20(2,10-21)29-11-21)26-17(27)6-13(15)18(22)23;3-2(4,5)1(6)7/h3-8,18H,9-11H2,1-2H3,(H,25,28);(H,6,7).

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

N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 512.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).