(5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane

C81H85F15N20O8 — CID 159738508

About (5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane

(5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane (PubChem CID 159738508) has the molecular formula C81H85F15N20O8 and a molecular weight of 1751.67 g/mol. Its IUPAC name is (5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane.

Molecular Properties

• Compound Name: (5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane
• PubChem CID: 159738508
• Molecular Formula: C81H85F15N20O8
• Molecular Weight: 1751.67 g/mol
• Exact Mass: 1750.66
• IUPAC Name: (5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane
• SMILES: C.C[C@@H]1Cn2cnc(C(=O)C[C@@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1.C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)Cc2c(C(=O)C[C@H](C)C(F)(F)F)ncn21.Cc1cc(NC(=O)N2Cc3c(C(=O)C[C@H](C)C(C)(F)F)ncn3C[C@@H]2C)ccc1F.[C-]#[N+]c1cc(NC(=O)N2Cc3c(C(=O)C[C@H](C)C(F)(F)F)nnn3C(C)C2)ccc1F
• InChI: InChI=1S/C21H25F3N4O2.2C20H19F4N5O2.C19H18F4N6O2.CH4/c1-12-7-15(5-6-16(12)22)26-20(30)28-10-17-19(25-11-27(17)9-14(28)3)18(29)8-13(2)21(4,23)24;1-11(20(22,23)24)5-17(30)18-16-9-29(12(2)8-28(16)10-26-18)19(31)27-14-3-4-15(21)13(6-14)7-25;1-11(20(22,23)24)5-17(30)18-16-9-28(8-12(2)29(16)10-26-18)19(31)27-14-3-4-15(21)13(6-14)7-25;1-10(19(21,22)23)6-16(30)17-15-9-28(8-11(2)29(15)27-26-17)18(31)25-12-4-5-13(20)14(7-12)24-3;/h5-7,11,13-14H,8-10H2,1-4H3,(H,26,30);2*3-4,6,10-12H,5,8-9H2,1-2H3,(H,27,31);4-5,7,10-11H,6,8-9H2,1-2H3,(H,25,31);1H4/t13-,14-;2*11-,12-;10-,11?;/m0100./s1
• InChIKey: NCDIBMRDUJPSGW-AQXFEADGSA-N
• XLogP: 17.99
• TPSA: 333.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.67
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane?

The IUPAC name of (5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane (CID 159738508) is (5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane.

What is the SMILES notation for (5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane?

The canonical SMILES for (5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane is C.C[C@@H]1Cn2cnc(C(=O)C[C@@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1.C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)Cc2c(C(=O)C[C@H](C)C(F)(F)F)ncn21.Cc1cc(NC(=O)N2Cc3c(C(=O)C[C@H](C)C(C)(F)F)ncn3C[C@@H]2C)ccc1F.[C-]#[N+]c1cc(NC(=O)N2Cc3c(C(=O)C[C@H](C)C(F)(F)F)nnn3C(C)C2)ccc1F.

What is the InChIKey of (5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane?

The InChIKey is NCDIBMRDUJPSGW-AQXFEADGSA-N. The full InChI is InChI=1S/C21H25F3N4O2.2C20H19F4N5O2.C19H18F4N6O2.CH4/c1-12-7-15(5-6-16(12)22)26-20(30)28-10-17-19(25-11-27(17)9-14(28)3)18(29)8-13(2)21(4,23)24;1-11(20(22,23)24)5-17(30)18-16-9-29(12(2)8-28(16)10-26-18)19(31)27-14-3-4-15(21)13(6-14)7-25;1-11(20(22,23)24)5-17(30)18-16-9-28(8-12(2)29(16)10-26-18)19(31)27-14-3-4-15(21)13(6-14)7-25;1-10(19(21,22)23)6-16(30)17-15-9-28(8-11(2)29(15)27-26-17)18(31)25-12-4-5-13(20)14(7-12)24-3;/h5-7,11,13-14H,8-10H2,1-4H3,(H,26,30);2*3-4,6,10-12H,5,8-9H2,1-2H3,(H,27,31);4-5,7,10-11H,6,8-9H2,1-2H3,(H,25,31);1H4/t13-,14-;2*11-,12-;10-,11?;/m0100./s1.

What are the key properties of (5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane?

(5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane has a molecular weight of 1751.67 g/mol, XLogP of 17.99, 17 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-1-[(3S)-4,4-difluoro-3-methylpentanoyl]-N-(4-fluoro-3-methylphenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(4-fluoro-3-isocyanophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;methane is sourced from PubChem (CID 159738508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).