methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate

C28H28N4O4 — CID 24811128

About methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate

methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate (PubChem CID 24811128) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate.

Molecular Properties

• Compound Name: methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate
• PubChem CID: 24811128
• Molecular Formula: C28H28N4O4
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.21
• IUPAC Name: methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate
• SMILES: COC(=O)c1ccc(NC(=O)N2CCCC(c3nc(-c4cccc(OC)c4)c4ccccn34)C2)cc1
• InChI: InChI=1S/C28H28N4O4/c1-35-23-9-5-7-20(17-23)25-24-10-3-4-16-32(24)26(30-25)21-8-6-15-31(18-21)28(34)29-22-13-11-19(12-14-22)27(33)36-2/h3-5,7,9-14,16-17,21H,6,8,15,18H2,1-2H3,(H,29,34)
• InChIKey: HXUNEOXVQVNTGH-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate?

The IUPAC name of methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate (CID 24811128) is methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate.

What is the SMILES notation for methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate?

The canonical SMILES for methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)N2CCCC(c3nc(-c4cccc(OC)c4)c4ccccn34)C2)cc1.

What is the InChIKey of methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate?

The InChIKey is HXUNEOXVQVNTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-35-23-9-5-7-20(17-23)25-24-10-3-4-16-32(24)26(30-25)21-8-6-15-31(18-21)28(34)29-22-13-11-19(12-14-22)27(33)36-2/h3-5,7,9-14,16-17,21H,6,8,15,18H2,1-2H3,(H,29,34).

What are the key properties of methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate?

methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate has a molecular weight of 484.56 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 24811128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).