1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H23N5O3 — CID 109069638

About 1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109069638) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109069638
• Molecular Formula: C20H23N5O3
• Molecular Weight: 381.44 g/mol
• Exact Mass: 381.18
• IUPAC Name: 1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: COc1cccc(NC(=O)c2nc(C(=O)NCCN(C)C)c3ccccn23)c1
• InChI: InChI=1S/C20H23N5O3/c1-24(2)12-10-21-19(26)17-16-9-4-5-11-25(16)18(23-17)20(27)22-14-7-6-8-15(13-14)28-3/h4-9,11,13H,10,12H2,1-3H3,(H,21,26)(H,22,27)
• InChIKey: WELMKLHSINMHKX-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.44
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109069638) is 1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is COc1cccc(NC(=O)c2nc(C(=O)NCCN(C)C)c3ccccn23)c1.

What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The InChIKey is WELMKLHSINMHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24(2)12-10-21-19(26)17-16-9-4-5-11-25(16)18(23-17)20(27)22-14-7-6-8-15(13-14)28-3/h4-9,11,13H,10,12H2,1-3H3,(H,21,26)(H,22,27).

What are the key properties of 1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109069638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).