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

C28H31N7O3 — CID 144509951

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

4-[3-[1-(2-methoxypropanoyl)piperidin-3-yl]-8-(methylamino)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (PubChem CID 144509951) has the molecular formula C28H31N7O3 and a molecular weight of 513.60 g/mol. Its IUPAC name is 4-[3-[1-(2-methoxypropanoyl)piperidin-3-yl]-8-(methylamino)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-[3-[1-(2-methoxypropanoyl)piperidin-3-yl]-8-(methylamino)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
• PubChem CID: 144509951
• Molecular Formula: C28H31N7O3
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.25
• IUPAC Name: 4-[3-[1-(2-methoxypropanoyl)piperidin-3-yl]-8-(methylamino)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
• SMILES: CNc1nccn2c(C3CCCN(C(=O)C(C)OC)C3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12
• InChI: InChI=1S/C28H31N7O3/c1-18(38-3)28(37)34-15-6-7-21(17-34)26-33-23(24-25(29-2)31-14-16-35(24)26)19-9-11-20(12-10-19)27(36)32-22-8-4-5-13-30-22/h4-5,8-14,16,18,21H,6-7,15,17H2,1-3H3,(H,29,31)(H,30,32,36)
• InChIKey: VUMICZHGXVHZFQ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 113.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[3-[1-(2-methoxypropanoyl)piperidin-3-yl]-8-(methylamino)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (CID 144509951) is 4-[3-[1-(2-methoxypropanoyl)piperidin-3-yl]-8-(methylamino)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

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

The canonical SMILES for 4-[3-[1-(2-methoxypropanoyl)piperidin-3-yl]-8-(methylamino)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is CNc1nccn2c(C3CCCN(C(=O)C(C)OC)C3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12.

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

The InChIKey is VUMICZHGXVHZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O3/c1-18(38-3)28(37)34-15-6-7-21(17-34)26-33-23(24-25(29-2)31-14-16-35(24)26)19-9-11-20(12-10-19)27(36)32-22-8-4-5-13-30-22/h4-5,8-14,16,18,21H,6-7,15,17H2,1-3H3,(H,29,31)(H,30,32,36).

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

4-[3-[1-(2-methoxypropanoyl)piperidin-3-yl]-8-(methylamino)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 513.60 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-(2-methoxypropanoyl)piperidin-3-yl]-8-(methylamino)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 144509951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).