4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

C29H31N7O2 — CID 71222832

About 4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (PubChem CID 71222832) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is 4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
• PubChem CID: 71222832
• Molecular Formula: C29H31N7O2
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.25
• IUPAC Name: 4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
• SMILES: CC(C)C(=O)N1CCC2(CC1)CC2c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12
• InChI: InChI=1S/C29H31N7O2/c1-18(2)28(38)35-14-10-29(11-15-35)17-21(29)26-34-23(24-25(30)32-13-16-36(24)26)19-6-8-20(9-7-19)27(37)33-22-5-3-4-12-31-22/h3-9,12-13,16,18,21H,10-11,14-15,17H2,1-2H3,(H2,30,32)(H,31,33,37)
• InChIKey: ZABIUEPYWNCVOV-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 118.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The IUPAC name of 4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (CID 71222832) is 4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

What is the SMILES notation for 4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The canonical SMILES for 4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is CC(C)C(=O)N1CCC2(CC1)CC2c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12.

What is the InChIKey of 4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The InChIKey is ZABIUEPYWNCVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O2/c1-18(2)28(38)35-14-10-29(11-15-35)17-21(29)26-34-23(24-25(30)32-13-16-36(24)26)19-6-8-20(9-7-19)27(37)33-22-5-3-4-12-31-22/h3-9,12-13,16,18,21H,10-11,14-15,17H2,1-2H3,(H2,30,32)(H,31,33,37).

What are the key properties of 4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 509.61 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 71222832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).