7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide

C30H36N4O3 — CID 121451001

About 7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide

7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 121451001) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
• PubChem CID: 121451001
• Molecular Formula: C30H36N4O3
• Molecular Weight: 500.64 g/mol
• Exact Mass: 500.28
• IUPAC Name: 7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
• SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cc(C)c(OC)cc2C)cc2c(C(C)C)ncn12
• InChI: InChI=1S/C30H36N4O3/c1-8-9-21-12-20(6)33-29(35)24(21)15-31-30(36)26-14-22(13-25-28(17(2)3)32-16-34(25)26)23-10-19(5)27(37-7)11-18(23)4/h10-14,16-17H,8-9,15H2,1-7H3,(H,31,36)(H,33,35)
• InChIKey: PSDCDEYZHUCDEQ-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.64
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?

The IUPAC name of 7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide (CID 121451001) is 7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide.

What is the SMILES notation for 7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?

The canonical SMILES for 7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cc(C)c(OC)cc2C)cc2c(C(C)C)ncn12.

What is the InChIKey of 7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?

The InChIKey is PSDCDEYZHUCDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-8-9-21-12-20(6)33-29(35)24(21)15-31-30(36)26-14-22(13-25-28(17(2)3)32-16-34(25)26)23-10-19(5)27(37-7)11-18(23)4/h10-14,16-17H,8-9,15H2,1-7H3,(H,31,36)(H,33,35).

What are the key properties of 7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?

7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 500.64 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-methoxy-2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 121451001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).