4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C25H20F3N7O4 — CID 123533163

About 4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 123533163) has the molecular formula C25H20F3N7O4 and a molecular weight of 539.47 g/mol. Its IUPAC name is 4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
• PubChem CID: 123533163
• Molecular Formula: C25H20F3N7O4
• Molecular Weight: 539.47 g/mol
• Exact Mass: 539.15
• IUPAC Name: 4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
• SMILES: Nc1nccn2c(C3CN4C(=O)OCC4CO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
• InChI: InChI=1S/C25H20F3N7O4/c26-25(27,28)15-5-6-30-18(9-15)32-23(36)14-3-1-13(2-4-14)19-20-21(29)31-7-8-34(20)22(33-19)17-10-35-16(11-38-17)12-39-24(35)37/h1-9,16-17H,10-12H2,(H2,29,31)(H,30,32,36)
• InChIKey: GRZIDHDGMWINAQ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 136.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.47
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

The IUPAC name of 4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 123533163) is 4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

What is the SMILES notation for 4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

The canonical SMILES for 4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is Nc1nccn2c(C3CN4C(=O)OCC4CO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12.

What is the InChIKey of 4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

The InChIKey is GRZIDHDGMWINAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N7O4/c26-25(27,28)15-5-6-30-18(9-15)32-23(36)14-3-1-13(2-4-14)19-20-21(29)31-7-8-34(20)22(33-19)17-10-35-16(11-38-17)12-39-24(35)37/h1-9,16-17H,10-12H2,(H2,29,31)(H,30,32,36).

What are the key properties of 4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 539.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 123533163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).