(6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C119H121F21N28O12 — CID 158993801

IUPAC(6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESC[C@@H]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@@H]1Cn2ncc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](C)C2)C(F)(F)F.[C-]#[N+]c1cc(NC(=O)N2Cc3c(C(=O)CC(C)(C)C)ncn3C[C@@H]2C)ccc1F.[C-]#[N+]c1cc(NC(=O)N2Cc3c(C(=O)C[C@H](C)C(F)(F)F)ncn3C[C@H]2C)ccc1F.[C-]#[N+]c1cc(NC(=O)N2Cc3c(C(=O)C[C@H](C)CF)ncn3C[C@@H]2C)ccc1F
InChIInChI=1S/C21H24FN5O2.2C20H19F4N5O2.C20H21F2N5O2.2C19H19F5N4O2/c1-13-10-26-12-24-19(18(28)9-21(2,3)4)17(26)11-27(13)20(29)25-14-6-7-15(22)16(8-14)23-5;1-11(20(22,23)24)6-17(30)18-16-9-29(12(2)8-28(16)10-26-18)19(31)27-13-4-5-14(21)15(7-13)25-3;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;1-12(8-21)6-18(28)19-17-10-27(13(2)9-26(17)11-24-19)20(29)25-14-4-5-15(22)16(7-14)23-3;1-10(19(22,23)24)5-17(29)13-7-25-28-8-11(2)27(9-16(13)28)18(30)26-12-3-4-14(20)15(21)6-12;1-10(19(22,23)24)5-16(29)17-15-8-28(11(2)7-27(15)9-25-17)18(30)26-12-3-4-13(20)14(21)6-12/h6-8,12-13H,9-11H2,1-4H3,(H,25,29);4-5,7,10-12H,6,8-9H2,1-2H3,(H,27,31);3-4,6,10-12H,5,8-9H2,1-2H3,(H,27,31);4-5,7,11-13H,6,8-10H2,1-2H3,(H,25,29);3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,26,30);3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30)/t13-;2*11-,12+;12-,13-;2*10-,11+/m001000/s1
InChIKeyJQMJCPNJXJINAE-DEFKLHIXSA-N
MW2534.42 g/mol
LogP26.43
Rot. Bonds24

About (6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

(6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 158993801) has the molecular formula C119H121F21N28O12 and a molecular weight of 2534.42 g/mol. Its IUPAC name is (6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID158993801
Molecular FormulaC119H121F21N28O12
Molecular Weight2534.42 g/mol
Exact Mass2532.94
IUPAC Name(6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESC[C@@H]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@@H]1Cn2ncc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](C)C2)C(F)(F)F.[C-]#[N+]c1cc(NC(=O)N2Cc3c(C(=O)CC(C)(C)C)ncn3C[C@@H]2C)ccc1F.[C-]#[N+]c1cc(NC(=O)N2Cc3c(C(=O)C[C@H](C)C(F)(F)F)ncn3C[C@H]2C)ccc1F.[C-]#[N+]c1cc(NC(=O)N2Cc3c(C(=O)C[C@H](C)CF)ncn3C[C@@H]2C)ccc1F
InChIInChI=1S/C21H24FN5O2.2C20H19F4N5O2.C20H21F2N5O2.2C19H19F5N4O2/c1-13-10-26-12-24-19(18(28)9-21(2,3)4)17(26)11-27(13)20(29)25-14-6-7-15(22)16(8-14)23-5;1-11(20(22,23)24)6-17(30)18-16-9-29(12(2)8-28(16)10-26-18)19(31)27-13-4-5-14(21)15(7-13)25-3;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;1-12(8-21)6-18(28)19-17-10-27(13(2)9-26(17)11-24-19)20(29)25-14-4-5-15(22)16(7-14)23-3;1-10(19(22,23)24)5-17(29)13-7-25-28-8-11(2)27(9-16(13)28)18(30)26-12-3-4-14(20)15(21)6-12;1-10(19(22,23)24)5-16(29)17-15-8-28(11(2)7-27(15)9-25-17)18(30)26-12-3-4-13(20)14(21)6-12/h6-8,12-13H,9-11H2,1-4H3,(H,25,29);4-5,7,10-12H,6,8-9H2,1-2H3,(H,27,31);3-4,6,10-12H,5,8-9H2,1-2H3,(H,27,31);4-5,7,11-13H,6,8-10H2,1-2H3,(H,25,29);3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,26,30);3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30)/t13-;2*11-,12+;12-,13-;2*10-,11+/m001000/s1
InChIKeyJQMJCPNJXJINAE-DEFKLHIXSA-N
XLogP26.43
TPSA440.25 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms180
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002534.42
LogP ≤ 526.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze (6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of (6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 158993801) is (6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for (6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for (6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is C[C@@H]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@@H]1Cn2ncc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](C)C2)C(F)(F)F.[C-]#[N+]c1cc(NC(=O)N2Cc3c(C(=O)CC(C)(C)C)ncn3C[C@@H]2C)ccc1F.[C-]#[N+]c1cc(NC(=O)N2Cc3c(C(=O)C[C@H](C)C(F)(F)F)ncn3C[C@H]2C)ccc1F.[C-]#[N+]c1cc(NC(=O)N2Cc3c(C(=O)C[C@H](C)CF)ncn3C[C@@H]2C)ccc1F.
What is the InChIKey of (6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is JQMJCPNJXJINAE-DEFKLHIXSA-N. The full InChI is InChI=1S/C21H24FN5O2.2C20H19F4N5O2.C20H21F2N5O2.2C19H19F5N4O2/c1-13-10-26-12-24-19(18(28)9-21(2,3)4)17(26)11-27(13)20(29)25-14-6-7-15(22)16(8-14)23-5;1-11(20(22,23)24)6-17(30)18-16-9-29(12(2)8-28(16)10-26-18)19(31)27-13-4-5-14(21)15(7-13)25-3;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;1-12(8-21)6-18(28)19-17-10-27(13(2)9-26(17)11-24-19)20(29)25-14-4-5-15(22)16(7-14)23-3;1-10(19(22,23)24)5-17(29)13-7-25-28-8-11(2)27(9-16(13)28)18(30)26-12-3-4-14(20)15(21)6-12;1-10(19(22,23)24)5-16(29)17-15-8-28(11(2)7-27(15)9-25-17)18(30)26-12-3-4-13(20)14(21)6-12/h6-8,12-13H,9-11H2,1-4H3,(H,25,29);4-5,7,10-12H,6,8-9H2,1-2H3,(H,27,31);3-4,6,10-12H,5,8-9H2,1-2H3,(H,27,31);4-5,7,11-13H,6,8-10H2,1-2H3,(H,25,29);3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,26,30);3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30)/t13-;2*11-,12+;12-,13-;2*10-,11+/m001000/s1.
What are the key properties of (6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
(6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 2534.42 g/mol, XLogP of 26.43, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-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;(6R)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-1-(3,3-dimethylbutanoyl)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(4-fluoro-3-isocyanophenyl)-1-[(3S)-4-fluoro-3-methylbutanoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6R)-N-(4-fluoro-3-isocyanophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 158993801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).