6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid

C30H28F6N6O6 — CID 172852066

About 6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid

6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 172852066) has the molecular formula C30H28F6N6O6 and a molecular weight of 682.58 g/mol. Its IUPAC name is 6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 172852066
• Molecular Formula: C30H28F6N6O6
• Molecular Weight: 682.58 g/mol
• Exact Mass: 682.20
• IUPAC Name: 6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC1Cn2c(c(C(=O)NCc3ccccc3-c3ncccn3)n(-c3ccc(OC[C@@H](O)C(F)(F)F)cc3)c2=O)CN1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C28H27F3N6O4.C2HF3O2/c1-17-15-36-22(14-34-17)24(26(39)35-13-18-5-2-3-6-21(18)25-32-11-4-12-33-25)37(27(36)40)19-7-9-20(10-8-19)41-16-23(38)28(29,30)31;3-2(4,5)1(6)7/h2-12,17,23,34,38H,13-16H2,1H3,(H,35,39);(H,6,7)/t17?,23-;/m1./s1
• InChIKey: YEXNSLHBTMIVJE-FZPJPSJMSA-N
• XLogP: 3.45
• TPSA: 160.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	682.58
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 172852066) is 6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid is CC1Cn2c(c(C(=O)NCc3ccccc3-c3ncccn3)n(-c3ccc(OC[C@@H](O)C(F)(F)F)cc3)c2=O)CN1.O=C(O)C(F)(F)F.

What is the InChIKey of 6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is YEXNSLHBTMIVJE-FZPJPSJMSA-N. The full InChI is InChI=1S/C28H27F3N6O4.C2HF3O2/c1-17-15-36-22(14-34-17)24(26(39)35-13-18-5-2-3-6-21(18)25-32-11-4-12-33-25)37(27(36)40)19-7-9-20(10-8-19)41-16-23(38)28(29,30)31;3-2(4,5)1(6)7/h2-12,17,23,34,38H,13-16H2,1H3,(H,35,39);(H,6,7)/t17?,23-;/m1./s1.

What are the key properties of 6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid?

6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 682.58 g/mol, XLogP of 3.45, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172852066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).