3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

C24H33F3N6O5 — CID 155831030

About 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155831030) has the molecular formula C24H33F3N6O5 and a molecular weight of 542.56 g/mol. Its IUPAC name is 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155831030
• Molecular Formula: C24H33F3N6O5
• Molecular Weight: 542.56 g/mol
• Exact Mass: 542.25
• IUPAC Name: 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CN(C)C(=O)N1CCCC1c1nc(C(=O)NCCCN2CCOCC2)c2ccccn12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H32N6O3.C2HF3O2/c1-25(2)22(30)28-12-5-8-18(28)20-24-19(17-7-3-4-11-27(17)20)21(29)23-9-6-10-26-13-15-31-16-14-26;3-2(4,5)1(6)7/h3-4,7,11,18H,5-6,8-10,12-16H2,1-2H3,(H,23,29);(H,6,7)
• InChIKey: DKLCHWNPUXKSIL-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 119.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.56
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155831030) is 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)N1CCCC1c1nc(C(=O)NCCCN2CCOCC2)c2ccccn12.O=C(O)C(F)(F)F.

What is the InChIKey of 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is DKLCHWNPUXKSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O3.C2HF3O2/c1-25(2)22(30)28-12-5-8-18(28)20-24-19(17-7-3-4-11-27(17)20)21(29)23-9-6-10-26-13-15-31-16-14-26;3-2(4,5)1(6)7/h3-4,7,11,18H,5-6,8-10,12-16H2,1-2H3,(H,23,29);(H,6,7).

What are the key properties of 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?

3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 542.56 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).