3-(1-benzoylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

C28H32F3N5O4 — CID 155826621

About 3-(1-benzoylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

3-(1-benzoylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155826621) has the molecular formula C28H32F3N5O4 and a molecular weight of 559.59 g/mol. Its IUPAC name is 3-(1-benzoylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-(1-benzoylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155826621
• Molecular Formula: C28H32F3N5O4
• Molecular Weight: 559.59 g/mol
• Exact Mass: 559.24
• IUPAC Name: 3-(1-benzoylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(NCCN1CCCCC1)c1nc(C2CCCN2C(=O)c2ccccc2)n2ccccc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H31N5O2.C2HF3O2/c32-25(27-14-19-29-15-6-2-7-16-29)23-21-12-5-8-17-30(21)24(28-23)22-13-9-18-31(22)26(33)20-10-3-1-4-11-20;3-2(4,5)1(6)7/h1,3-5,8,10-12,17,22H,2,6-7,9,13-16,18-19H2,(H,27,32);(H,6,7)
• InChIKey: ACNZUYFEUIHJJF-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 107.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.59
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(1-benzoylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155826621) is 3-(1-benzoylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 3-(1-benzoylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCCN1CCCCC1)c1nc(C2CCCN2C(=O)c2ccccc2)n2ccccc12.O=C(O)C(F)(F)F.

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

The InChIKey is ACNZUYFEUIHJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2.C2HF3O2/c32-25(27-14-19-29-15-6-2-7-16-29)23-21-12-5-8-17-30(21)24(28-23)22-13-9-18-31(22)26(33)20-10-3-1-4-11-20;3-2(4,5)1(6)7/h1,3-5,8,10-12,17,22H,2,6-7,9,13-16,18-19H2,(H,27,32);(H,6,7).

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

3-(1-benzoylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 559.59 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzoylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155826621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).