3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide

C26H33N5O3 — CID 171543834

About 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide

3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (PubChem CID 171543834) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
• PubChem CID: 171543834
• Molecular Formula: C26H33N5O3
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.26
• IUPAC Name: 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
• SMILES: COc1cccc(-c2nc(C3CCCN(C(=O)NCCN4CCOCC4)C3)n3ccccc23)c1
• InChI: InChI=1S/C26H33N5O3/c1-33-22-8-4-6-20(18-22)24-23-9-2-3-12-31(23)25(28-24)21-7-5-11-30(19-21)26(32)27-10-13-29-14-16-34-17-15-29/h2-4,6,8-9,12,18,21H,5,7,10-11,13-17,19H2,1H3,(H,27,32)
• InChIKey: IFUGTGJKEHSPQL-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 71.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?

The IUPAC name of 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (CID 171543834) is 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.

What is the SMILES notation for 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?

The canonical SMILES for 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide is COc1cccc(-c2nc(C3CCCN(C(=O)NCCN4CCOCC4)C3)n3ccccc23)c1.

What is the InChIKey of 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?

The InChIKey is IFUGTGJKEHSPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-33-22-8-4-6-20(18-22)24-23-9-2-3-12-31(23)25(28-24)21-7-5-11-30(19-21)26(32)27-10-13-29-14-16-34-17-15-29/h2-4,6,8-9,12,18,21H,5,7,10-11,13-17,19H2,1H3,(H,27,32).

What are the key properties of 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?

3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 171543834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).