3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)

C25H16F10N4O5 — CID 171927394

About 3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)

3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171927394) has the molecular formula C25H16F10N4O5 and a molecular weight of 642.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 171927394
• Molecular Formula: C25H16F10N4O5
• Molecular Weight: 642.41 g/mol
• Exact Mass: 642.10
• IUPAC Name: 3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: O=C(NC(c1ccccn1)C(F)(F)F)c1nc(-c2cccc(F)c2)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H14F4N4O.2C2HF3O2/c22-14-7-5-6-13(12-14)19-27-17(16-9-2-4-11-29(16)19)20(30)28-18(21(23,24)25)15-8-1-3-10-26-15;2*3-2(4,5)1(6)7/h1-12,18H,(H,28,30);2*(H,6,7)
• InChIKey: PODKEJQRXVMIEP-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 133.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.41
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 171927394) is 3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is O=C(NC(c1ccccn1)C(F)(F)F)c1nc(-c2cccc(F)c2)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is PODKEJQRXVMIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O.2C2HF3O2/c22-14-7-5-6-13(12-14)19-27-17(16-9-2-4-11-29(16)19)20(30)28-18(21(23,24)25)15-8-1-3-10-26-15;2*3-2(4,5)1(6)7/h1-12,18H,(H,28,30);2*(H,6,7).

What are the key properties of 3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?

3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 642.41 g/mol, XLogP of 5.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171927394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).