3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H19N5O3 — CID 109070788

About 3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070788) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109070788
• Molecular Formula: C21H19N5O3
• Molecular Weight: 389.42 g/mol
• Exact Mass: 389.15
• IUPAC Name: 3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: Cc1cc(NC(=O)c2nc(C(=O)NCCc3ccccc3)c3ccccn23)no1
• InChI: InChI=1S/C21H19N5O3/c1-14-13-17(25-29-14)23-21(28)19-24-18(16-9-5-6-12-26(16)19)20(27)22-11-10-15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,22,27)(H,23,25,28)
• InChIKey: RNQFKTCBICTUBP-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 101.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.42
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The IUPAC name of 3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070788) is 3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

What is the SMILES notation for 3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The canonical SMILES for 3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cc(NC(=O)c2nc(C(=O)NCCc3ccccc3)c3ccccn23)no1.

What is the InChIKey of 3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The InChIKey is RNQFKTCBICTUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-14-13-17(25-29-14)23-21(28)19-24-18(16-9-5-6-12-26(16)19)20(27)22-11-10-15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,22,27)(H,23,25,28).

What are the key properties of 3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).