4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

C27H26N8O — CID 155345319

About 4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (PubChem CID 155345319) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is 4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
• PubChem CID: 155345319
• Molecular Formula: C27H26N8O
• Molecular Weight: 478.56 g/mol
• Exact Mass: 478.22
• IUPAC Name: 4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
• SMILES: Nc1nccn2c(-c3cccn3C3CCNCC3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12
• InChI: InChI=1S/C27H26N8O/c28-25-24-23(18-6-8-19(9-7-18)27(36)32-22-5-1-2-12-30-22)33-26(35(24)17-15-31-25)21-4-3-16-34(21)20-10-13-29-14-11-20/h1-9,12,15-17,20,29H,10-11,13-14H2,(H2,28,31)(H,30,32,36)
• InChIKey: YVLZEQCRNAZCIM-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 115.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.56
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The IUPAC name of 4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (CID 155345319) is 4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

What is the SMILES notation for 4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The canonical SMILES for 4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is Nc1nccn2c(-c3cccn3C3CCNCC3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12.

What is the InChIKey of 4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The InChIKey is YVLZEQCRNAZCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c28-25-24-23(18-6-8-19(9-7-18)27(36)32-22-5-1-2-12-30-22)33-26(35(24)17-15-31-25)21-4-3-16-34(21)20-10-13-29-14-11-20/h1-9,12,15-17,20,29H,10-11,13-14H2,(H2,28,31)(H,30,32,36).

What are the key properties of 4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 478.56 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-3-(1-piperidin-4-ylpyrrol-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 155345319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).