4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide

C28H32N8O2 — CID 138601029

About 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide

4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide (PubChem CID 138601029) has the molecular formula C28H32N8O2 and a molecular weight of 512.62 g/mol. Its IUPAC name is 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide
• PubChem CID: 138601029
• Molecular Formula: C28H32N8O2
• Molecular Weight: 512.62 g/mol
• Exact Mass: 512.26
• IUPAC Name: 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide
• SMILES: CCC(=O)N1CCCC(c2nc(-c3ccc(C(=O)Nc4cc(C5CC5)n(C)n4)cc3)c3c(N)nccn23)C1
• InChI: InChI=1S/C28H32N8O2/c1-3-23(37)35-13-4-5-20(16-35)27-32-24(25-26(29)30-12-14-36(25)27)18-8-10-19(11-9-18)28(38)31-22-15-21(17-6-7-17)34(2)33-22/h8-12,14-15,17,20H,3-7,13,16H2,1-2H3,(H2,29,30)(H,31,33,38)
• InChIKey: IKNYBDIZMXCXSW-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 123.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.62
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide?

The IUPAC name of 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide (CID 138601029) is 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide.

What is the SMILES notation for 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide?

The canonical SMILES for 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide is CCC(=O)N1CCCC(c2nc(-c3ccc(C(=O)Nc4cc(C5CC5)n(C)n4)cc3)c3c(N)nccn23)C1.

What is the InChIKey of 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide?

The InChIKey is IKNYBDIZMXCXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2/c1-3-23(37)35-13-4-5-20(16-35)27-32-24(25-26(29)30-12-14-36(25)27)18-8-10-19(11-9-18)28(38)31-22-15-21(17-6-7-17)34(2)33-22/h8-12,14-15,17,20H,3-7,13,16H2,1-2H3,(H2,29,30)(H,31,33,38).

What are the key properties of 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide?

4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide has a molecular weight of 512.62 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 138601029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).