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

C26H16F9N5O5 — CID 171925330

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

3-(3-cyanophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171925330) has the molecular formula C26H16F9N5O5 and a molecular weight of 649.43 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-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-cyanophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 171925330
• Molecular Formula: C26H16F9N5O5
• Molecular Weight: 649.43 g/mol
• Exact Mass: 649.10
• IUPAC Name: 3-(3-cyanophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: N#Cc1cccc(-c2nc(C(=O)NC(c3ccccn3)C(F)(F)F)c3ccccn23)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H14F3N5O.2C2HF3O2/c23-22(24,25)19(16-8-1-3-10-27-16)29-21(31)18-17-9-2-4-11-30(17)20(28-18)15-7-5-6-14(12-15)13-26;2*3-2(4,5)1(6)7/h1-12,19H,(H,29,31);2*(H,6,7)
• InChIKey: KXGCBDNZMUSBNC-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 157.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.43
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-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-cyanophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 171925330) is 3-(3-cyanophenyl)-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-cyanophenyl)-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-cyanophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is N#Cc1cccc(-c2nc(C(=O)NC(c3ccccn3)C(F)(F)F)c3ccccn23)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(3-cyanophenyl)-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 KXGCBDNZMUSBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O.2C2HF3O2/c23-22(24,25)19(16-8-1-3-10-27-16)29-21(31)18-17-9-2-4-11-30(17)20(28-18)15-7-5-6-14(12-15)13-26;2*3-2(4,5)1(6)7/h1-12,19H,(H,29,31);2*(H,6,7).

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

3-(3-cyanophenyl)-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 649.43 g/mol, XLogP of 5.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-cyanophenyl)-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 171925330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).