6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C23H19F7N4O4 — CID 154998330

About 6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998330) has the molecular formula C23H19F7N4O4 and a molecular weight of 548.42 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 154998330
• Molecular Formula: C23H19F7N4O4
• Molecular Weight: 548.42 g/mol
• Exact Mass: 548.13
• IUPAC Name: 6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: COc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C34CC(C(F)F)(C3)C4)nc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H18F4N4O2.C2HF3O2/c1-31-14-5-11(26-18(30)13-4-2-3-12(27-13)16(22)23)6-29-7-15(28-17(14)29)20-8-21(9-20,10-20)19(24)25;3-2(4,5)1(6)7/h2-7,16,19H,8-10H2,1H3,(H,26,30);(H,6,7)
• InChIKey: CSGAIHATWNTTOE-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 105.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.42
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998330) is 6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is COc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C34CC(C(F)F)(C3)C4)nc12.O=C(O)C(F)(F)F.

What is the InChIKey of 6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is CSGAIHATWNTTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O2.C2HF3O2/c1-31-14-5-11(26-18(30)13-4-2-3-12(27-13)16(22)23)6-29-7-15(28-17(14)29)20-8-21(9-20,10-20)19(24)25;3-2(4,5)1(6)7/h2-7,16,19H,8-10H2,1H3,(H,26,30);(H,6,7).

What are the key properties of 6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 548.42 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).