4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C25H27N7O2S — CID 138600995

About 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide

4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 138600995) has the molecular formula C25H27N7O2S and a molecular weight of 489.61 g/mol. Its IUPAC name is 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 138600995
• Molecular Formula: C25H27N7O2S
• Molecular Weight: 489.61 g/mol
• Exact Mass: 489.19
• IUPAC Name: 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
• SMILES: CCC(=O)N1CCCC(c2nc(-c3ccc(C(=O)Nc4ncc(C)s4)cc3)c3c(N)nccn23)C1
• InChI: InChI=1S/C25H27N7O2S/c1-3-19(33)31-11-4-5-18(14-31)23-29-20(21-22(26)27-10-12-32(21)23)16-6-8-17(9-7-16)24(34)30-25-28-13-15(2)35-25/h6-10,12-13,18H,3-5,11,14H2,1-2H3,(H2,26,27)(H,28,30,34)
• InChIKey: BUQCBVFWTAHHMZ-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 118.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.61
LogP ≤ 5	4.11
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-methyl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 138600995) is 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-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-methyl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide is CCC(=O)N1CCCC(c2nc(-c3ccc(C(=O)Nc4ncc(C)s4)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-methyl-1,3-thiazol-2-yl)benzamide?

The InChIKey is BUQCBVFWTAHHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2S/c1-3-19(33)31-11-4-5-18(14-31)23-29-20(21-22(26)27-10-12-32(21)23)16-6-8-17(9-7-16)24(34)30-25-28-13-15(2)35-25/h6-10,12-13,18H,3-5,11,14H2,1-2H3,(H2,26,27)(H,28,30,34).

What are the key properties of 4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?

4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 489.61 g/mol, XLogP of 4.11, 5 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-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 138600995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).