4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide

C33H38N8O2 — CID 71222666

About 4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide

4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide (PubChem CID 71222666) has the molecular formula C33H38N8O2 and a molecular weight of 578.72 g/mol. Its IUPAC name is 4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
• PubChem CID: 71222666
• Molecular Formula: C33H38N8O2
• Molecular Weight: 578.72 g/mol
• Exact Mass: 578.31
• IUPAC Name: 4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
• SMILES: CC1CCC(c2nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c3c(N)nccn23)CN1C(=O)N1CCCCC1
• InChI: InChI=1S/C33H38N8O2/c1-21-5-6-26(20-41(21)33(43)39-16-3-2-4-17-39)31-38-28(29-30(34)36-15-18-40(29)31)23-9-11-24(12-10-23)32(42)37-27-19-25(13-14-35-27)22-7-8-22/h9-15,18-19,21-22,26H,2-8,16-17,20H2,1H3,(H2,34,36)(H,35,37,42)
• InChIKey: FGPLRGROXNPJHW-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 121.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.72
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide?

The IUPAC name of 4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide (CID 71222666) is 4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide.

What is the SMILES notation for 4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide?

The canonical SMILES for 4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide is CC1CCC(c2nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c3c(N)nccn23)CN1C(=O)N1CCCCC1.

What is the InChIKey of 4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide?

The InChIKey is FGPLRGROXNPJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O2/c1-21-5-6-26(20-41(21)33(43)39-16-3-2-4-17-39)31-38-28(29-30(34)36-15-18-40(29)31)23-9-11-24(12-10-23)32(42)37-27-19-25(13-14-35-27)22-7-8-22/h9-15,18-19,21-22,26H,2-8,16-17,20H2,1H3,(H2,34,36)(H,35,37,42).

What are the key properties of 4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide?

4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide has a molecular weight of 578.72 g/mol, XLogP of 5.68, 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-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide is sourced from PubChem (CID 71222666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).