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

C118H126F20N26O12 — CID 158792187

IUPAC(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)CC2)C(F)(F)F.C[C@H]1Cn2cnc(C(=O)CC(C)(C)C)c2CN1C(=O)Nc1ccc(F)c(F)c1.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]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)CC(C)(C)C)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)CC(C)(C)C)c2CN1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H19F4N5O2.C20H23F3N4O2.2C20H24F2N4O2.C19H19F5N4O2.C19H17F4N5O2/c1-11(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;1-11-9-27-16(13(8-24-27)17(28)7-20(2,3)4)10-26(11)19(29)25-12-5-14(21)18(23)15(22)6-12;1-12-10-26-17(14(9-23-26)18(27)8-20(2,3)4)11-25(12)19(28)24-13-5-6-15(21)16(22)7-13;1-12-9-25-11-23-18(17(27)8-20(2,3)4)16(25)10-26(12)19(28)24-13-5-6-14(21)15(22)7-13;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;1-11(19(21,22)23)6-16(29)17-15-9-27(4-5-28(15)10-25-17)18(30)26-13-2-3-14(20)12(7-13)8-24/h3-4,6,10-12H,5,8-9H2,1-2H3,(H,27,31);5-6,8,11H,7,9-10H2,1-4H3,(H,25,29);5-7,9,12H,8,10-11H2,1-4H3,(H,24,28);5-7,11-12H,8-10H2,1-4H3,(H,24,28);3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30);2-3,7,10-11H,4-6,9H2,1H3,(H,26,30)/t11-,12-;11-;2*12-;10-,11-;11-/m000000/s1
InChIKeyISKMMVLNDOHCKL-ZEOVSRLMSA-N
MW2480.44 g/mol
LogP24.97
Rot. Bonds21

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

(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 158792187) has the molecular formula C118H126F20N26O12 and a molecular weight of 2480.44 g/mol. Its IUPAC name is (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID158792187
Molecular FormulaC118H126F20N26O12
Molecular Weight2480.44 g/mol
Exact Mass2478.97
IUPAC Name(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)CC2)C(F)(F)F.C[C@H]1Cn2cnc(C(=O)CC(C)(C)C)c2CN1C(=O)Nc1ccc(F)c(F)c1.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]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)CC(C)(C)C)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)CC(C)(C)C)c2CN1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H19F4N5O2.C20H23F3N4O2.2C20H24F2N4O2.C19H19F5N4O2.C19H17F4N5O2/c1-11(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;1-11-9-27-16(13(8-24-27)17(28)7-20(2,3)4)10-26(11)19(29)25-12-5-14(21)18(23)15(22)6-12;1-12-10-26-17(14(9-23-26)18(27)8-20(2,3)4)11-25(12)19(28)24-13-5-6-15(21)16(22)7-13;1-12-9-25-11-23-18(17(27)8-20(2,3)4)16(25)10-26(12)19(28)24-13-5-6-14(21)15(22)7-13;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;1-11(19(21,22)23)6-16(29)17-15-9-27(4-5-28(15)10-25-17)18(30)26-13-2-3-14(20)12(7-13)8-24/h3-4,6,10-12H,5,8-9H2,1-2H3,(H,27,31);5-6,8,11H,7,9-10H2,1-4H3,(H,25,29);5-7,9,12H,8,10-11H2,1-4H3,(H,24,28);5-7,11-12H,8-10H2,1-4H3,(H,24,28);3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30);2-3,7,10-11H,4-6,9H2,1H3,(H,26,30)/t11-,12-;11-;2*12-;10-,11-;11-/m000000/s1
InChIKeyISKMMVLNDOHCKL-ZEOVSRLMSA-N
XLogP24.97
TPSA450.96 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms176
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002480.44
LogP ≤ 524.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-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-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 158792187) is (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)CC2)C(F)(F)F.C[C@H]1Cn2cnc(C(=O)CC(C)(C)C)c2CN1C(=O)Nc1ccc(F)c(F)c1.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]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)CC(C)(C)C)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)CC(C)(C)C)c2CN1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is ISKMMVLNDOHCKL-ZEOVSRLMSA-N. The full InChI is InChI=1S/C20H19F4N5O2.C20H23F3N4O2.2C20H24F2N4O2.C19H19F5N4O2.C19H17F4N5O2/c1-11(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;1-11-9-27-16(13(8-24-27)17(28)7-20(2,3)4)10-26(11)19(29)25-12-5-14(21)18(23)15(22)6-12;1-12-10-26-17(14(9-23-26)18(27)8-20(2,3)4)11-25(12)19(28)24-13-5-6-15(21)16(22)7-13;1-12-9-25-11-23-18(17(27)8-20(2,3)4)16(25)10-26(12)19(28)24-13-5-6-14(21)15(22)7-13;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;1-11(19(21,22)23)6-16(29)17-15-9-27(4-5-28(15)10-25-17)18(30)26-13-2-3-14(20)12(7-13)8-24/h3-4,6,10-12H,5,8-9H2,1-2H3,(H,27,31);5-6,8,11H,7,9-10H2,1-4H3,(H,25,29);5-7,9,12H,8,10-11H2,1-4H3,(H,24,28);5-7,11-12H,8-10H2,1-4H3,(H,24,28);3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30);2-3,7,10-11H,4-6,9H2,1H3,(H,26,30)/t11-,12-;11-;2*12-;10-,11-;11-/m000000/s1.
What are the key properties of (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 2480.44 g/mol, XLogP of 24.97, 21 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-1-(3,3-dimethylbutanoyl)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-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;(6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 158792187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).