1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C24H18Cl2F3N3O3 — CID 171931929

About 1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171931929) has the molecular formula C24H18Cl2F3N3O3 and a molecular weight of 524.33 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 171931929
• Molecular Formula: C24H18Cl2F3N3O3
• Molecular Weight: 524.33 g/mol
• Exact Mass: 523.07
• IUPAC Name: 1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC(NC(=O)c1nc(-c2cccc(Cl)c2)c2ccccn12)c1ccccc1Cl.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H17Cl2N3O.C2HF3O2/c1-14(17-9-2-3-10-18(17)24)25-22(28)21-26-20(15-7-6-8-16(23)13-15)19-11-4-5-12-27(19)21;3-2(4,5)1(6)7/h2-14H,1H3,(H,25,28);(H,6,7)
• InChIKey: NKOBURQRRHDUHQ-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 83.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.33
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 171931929) is 1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is CC(NC(=O)c1nc(-c2cccc(Cl)c2)c2ccccn12)c1ccccc1Cl.O=C(O)C(F)(F)F.

What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is NKOBURQRRHDUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O.C2HF3O2/c1-14(17-9-2-3-10-18(17)24)25-22(28)21-26-20(15-7-6-8-16(23)13-15)19-11-4-5-12-27(19)21;3-2(4,5)1(6)7/h2-14H,1H3,(H,25,28);(H,6,7).

What are the key properties of 1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 524.33 g/mol, XLogP of 6.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171931929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).