3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

C22H28F3N5O3 — CID 155860214

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

3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155860214) has the molecular formula C22H28F3N5O3 and a molecular weight of 467.49 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155860214
• Molecular Formula: C22H28F3N5O3
• Molecular Weight: 467.49 g/mol
• Exact Mass: 467.21
• IUPAC Name: 3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)CNC(=O)c1nc(-c2ccn(CCN(C)C)c2)n2ccccc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H27N5O.C2HF3O2/c1-15(2)13-21-20(26)18-17-7-5-6-9-25(17)19(22-18)16-8-10-24(14-16)12-11-23(3)4;3-2(4,5)1(6)7/h5-10,14-15H,11-13H2,1-4H3,(H,21,26);(H,6,7)
• InChIKey: SMXHITYAHRSKLO-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 91.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.49
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155860214) is 3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is CC(C)CNC(=O)c1nc(-c2ccn(CCN(C)C)c2)n2ccccc12.O=C(O)C(F)(F)F.

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

The InChIKey is SMXHITYAHRSKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O.C2HF3O2/c1-15(2)13-21-20(26)18-17-7-5-6-9-25(17)19(22-18)16-8-10-24(14-16)12-11-23(3)4;3-2(4,5)1(6)7/h5-10,14-15H,11-13H2,1-4H3,(H,21,26);(H,6,7).

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

3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 467.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).