N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide

C26H27N5O — CID 131670927

About N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide

N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 131670927) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 131670927
• Molecular Formula: C26H27N5O
• Molecular Weight: 425.54 g/mol
• Exact Mass: 425.22
• IUPAC Name: N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide
• SMILES: O=C(NCCc1ccccc1)c1nc(C2CCCN2Cc2ccccn2)n2ccccc12
• InChI: InChI=1S/C26H27N5O/c32-26(28-16-14-20-9-2-1-3-10-20)24-22-12-5-7-18-31(22)25(29-24)23-13-8-17-30(23)19-21-11-4-6-15-27-21/h1-7,9-12,15,18,23H,8,13-14,16-17,19H2,(H,28,32)
• InChIKey: ILHFOTJHGVXUDX-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.54
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide (CID 131670927) is N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide is O=C(NCCc1ccccc1)c1nc(C2CCCN2Cc2ccccn2)n2ccccc12.

What is the InChIKey of N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is ILHFOTJHGVXUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c32-26(28-16-14-20-9-2-1-3-10-20)24-22-12-5-7-18-31(22)25(29-24)23-13-8-17-30(23)19-21-11-4-6-15-27-21/h1-7,9-12,15,18,23H,8,13-14,16-17,19H2,(H,28,32).

What are the key properties of N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide?

N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 131670927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).