4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

C27H24N8O2 — CID 135254844

About 4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (PubChem CID 135254844) has the molecular formula C27H24N8O2 and a molecular weight of 492.54 g/mol. Its IUPAC name is 4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
• PubChem CID: 135254844
• Molecular Formula: C27H24N8O2
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.20
• IUPAC Name: 4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
• SMILES: N#CCC(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12
• InChI: InChI=1S/C27H24N8O2/c28-11-8-21(36)35-16-27(9-10-27)15-19(35)25-33-22(23-24(29)31-13-14-34(23)25)17-4-6-18(7-5-17)26(37)32-20-3-1-2-12-30-20/h1-7,12-14,19H,8-10,15-16H2,(H2,29,31)(H,30,32,37)/t19-/m0/s1
• InChIKey: RUXFOOJCNUCJQV-IBGZPJMESA-N
• XLogP: 3.59
• TPSA: 142.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The IUPAC name of 4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (CID 135254844) is 4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

What is the SMILES notation for 4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The canonical SMILES for 4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is N#CCC(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12.

What is the InChIKey of 4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The InChIKey is RUXFOOJCNUCJQV-IBGZPJMESA-N. The full InChI is InChI=1S/C27H24N8O2/c28-11-8-21(36)35-16-27(9-10-27)15-19(35)25-33-22(23-24(29)31-13-14-34(23)25)17-4-6-18(7-5-17)26(37)32-20-3-1-2-12-30-20/h1-7,12-14,19H,8-10,15-16H2,(H2,29,31)(H,30,32,37)/t19-/m0/s1.

What are the key properties of 4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 492.54 g/mol, XLogP of 3.59, 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-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 135254844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).