3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one

C58H57F3N14O3 — CID 159780765

About 3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one

3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one (PubChem CID 159780765) has the molecular formula C58H57F3N14O3 and a molecular weight of 1055.18 g/mol. Its IUPAC name is 3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one.

Molecular Properties

• Compound Name: 3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one
• PubChem CID: 159780765
• Molecular Formula: C58H57F3N14O3
• Molecular Weight: 1055.18 g/mol
• Exact Mass: 1054.47
• IUPAC Name: 3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one
• SMILES: C[C@@](O)(C(=O)N1CCn2c(cnc2-c2ccccc2)C1)C(F)(F)F.NCc1cnccn1.O=C(CCc1cnccn1)c1ccccc1.c1ccc(-c2ncc3cnccn23)cc1.c1ccc(-c2ncc3n2CCNC3)cc1
• InChI: InChI=1S/C16H16F3N3O2.C13H12N2O.C12H13N3.C12H9N3.C5H7N3/c1-15(24,16(17,18)19)14(23)21-7-8-22-12(10-21)9-20-13(22)11-5-3-2-4-6-11;16-13(11-4-2-1-3-5-11)7-6-12-10-14-8-9-15-12;2*1-2-4-10(5-3-1)12-14-9-11-8-13-6-7-15(11)12;6-3-5-4-7-1-2-8-5/h2-6,9,24H,7-8,10H2,1H3;1-5,8-10H,6-7H2;1-5,9,13H,6-8H2;1-9H;1-2,4H,3,6H2/t15-;;;;/m1..../s1
• InChIKey: NHIHDWBHUXFEKZ-FKOXPEIHSA-N
• XLogP: 8.48
• TPSA: 213.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.18
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one?

The IUPAC name of 3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one (CID 159780765) is 3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one.

What is the SMILES notation for 3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one?

The canonical SMILES for 3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one is C[C@@](O)(C(=O)N1CCn2c(cnc2-c2ccccc2)C1)C(F)(F)F.NCc1cnccn1.O=C(CCc1cnccn1)c1ccccc1.c1ccc(-c2ncc3cnccn23)cc1.c1ccc(-c2ncc3n2CCNC3)cc1.

What is the InChIKey of 3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one?

The InChIKey is NHIHDWBHUXFEKZ-FKOXPEIHSA-N. The full InChI is InChI=1S/C16H16F3N3O2.C13H12N2O.C12H13N3.C12H9N3.C5H7N3/c1-15(24,16(17,18)19)14(23)21-7-8-22-12(10-21)9-20-13(22)11-5-3-2-4-6-11;16-13(11-4-2-1-3-5-11)7-6-12-10-14-8-9-15-12;2*1-2-4-10(5-3-1)12-14-9-11-8-13-6-7-15(11)12;6-3-5-4-7-1-2-8-5/h2-6,9,24H,7-8,10H2,1H3;1-5,8-10H,6-7H2;1-5,9,13H,6-8H2;1-9H;1-2,4H,3,6H2/t15-;;;;/m1..../s1.

What are the key properties of 3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one?

3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one has a molecular weight of 1055.18 g/mol, XLogP of 8.48, 9 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenylimidazo[1,5-a]pyrazine;1-phenyl-3-pyrazin-2-ylpropan-1-one;3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;pyrazin-2-ylmethanamine;(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one is sourced from PubChem (CID 159780765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).