(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide

C114H112F27N27O14 — CID 158463826

IUPAC(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@@H](CC(=O)c1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F.C[C@H]1Cn2cnc(C(=O)CC3(C)COC3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)CC3(C)COC3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1cc(F)nc(F)c1.C[C@H]1Cn2ncc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C20H19F4N5O2.2C20H21F3N4O3.C19H18F6N4O2.C18H18F5N5O2.C17H15F6N5O2/c1-11(20(22,23)24)5-18(30)15-8-26-29-9-12(2)28(10-17(15)29)19(31)27-14-3-4-16(21)13(6-14)7-25;1-11-7-27-16(13(6-24-27)17(28)5-20(2)9-30-10-20)8-26(11)19(29)25-12-3-14(21)18(23)15(22)4-12;1-11-6-26-10-24-18(16(28)5-20(2)8-30-9-20)15(26)7-27(11)19(29)25-12-3-13(21)17(23)14(22)4-12;1-9(19(23,24)25)3-15(30)17-14-7-29(10(2)6-28(14)8-26-17)18(31)27-11-4-12(20)16(22)13(21)5-11;1-9(18(21,22)23)3-14(29)12-6-24-28-7-10(2)27(8-13(12)28)17(30)25-11-4-15(19)26-16(20)5-11;1-8(17(21,22)23)4-13(29)15-12-7-27(2-3-28(12)26-25-15)16(30)24-9-5-10(18)14(20)11(19)6-9/h3-4,6,8,11-12H,5,9-10H2,1-2H3,(H,27,31);3-4,6,11H,5,7-10H2,1-2H3,(H,25,29);3-4,10-11H,5-9H2,1-2H3,(H,25,29);4-5,8-10H,3,6-7H2,1-2H3,(H,27,31);4-6,9-10H,3,7-8H2,1-2H3,(H,25,26,30);5-6,8H,2-4,7H2,1H3,(H,24,30)/t11-,12-;2*11-;2*9-,10-;8-/m000000/s1
InChIKeyHFMTWXAHOJHKEE-VNCWZDCSSA-N
MW2597.27 g/mol
LogP22.58
Rot. Bonds24

About (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide

(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 158463826) has the molecular formula C114H112F27N27O14 and a molecular weight of 2597.27 g/mol. Its IUPAC name is (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID158463826
Molecular FormulaC114H112F27N27O14
Molecular Weight2597.27 g/mol
Exact Mass2595.85
IUPAC Name(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@@H](CC(=O)c1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F.C[C@H]1Cn2cnc(C(=O)CC3(C)COC3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)CC3(C)COC3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1cc(F)nc(F)c1.C[C@H]1Cn2ncc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C20H19F4N5O2.2C20H21F3N4O3.C19H18F6N4O2.C18H18F5N5O2.C17H15F6N5O2/c1-11(20(22,23)24)5-18(30)15-8-26-29-9-12(2)28(10-17(15)29)19(31)27-14-3-4-16(21)13(6-14)7-25;1-11-7-27-16(13(6-24-27)17(28)5-20(2)9-30-10-20)8-26(11)19(29)25-12-3-14(21)18(23)15(22)4-12;1-11-6-26-10-24-18(16(28)5-20(2)8-30-9-20)15(26)7-27(11)19(29)25-12-3-13(21)17(23)14(22)4-12;1-9(19(23,24)25)3-15(30)17-14-7-29(10(2)6-28(14)8-26-17)18(31)27-11-4-12(20)16(22)13(21)5-11;1-9(18(21,22)23)3-14(29)12-6-24-28-7-10(2)27(8-13(12)28)17(30)25-11-4-15(19)26-16(20)5-11;1-8(17(21,22)23)4-13(29)15-12-7-27(2-3-28(12)26-25-15)16(30)24-9-5-10(18)14(20)11(19)6-9/h3-4,6,8,11-12H,5,9-10H2,1-2H3,(H,27,31);3-4,6,11H,5,7-10H2,1-2H3,(H,25,29);3-4,10-11H,5-9H2,1-2H3,(H,25,29);4-5,8-10H,3,6-7H2,1-2H3,(H,27,31);4-6,9-10H,3,7-8H2,1-2H3,(H,25,26,30);5-6,8H,2-4,7H2,1H3,(H,24,30)/t11-,12-;2*11-;2*9-,10-;8-/m000000/s1
InChIKeyHFMTWXAHOJHKEE-VNCWZDCSSA-N
XLogP22.58
TPSA471.41 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms182
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002597.27
LogP ≤ 522.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide (CID 158463826) is (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide is C[C@@H](CC(=O)c1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F.C[C@H]1Cn2cnc(C(=O)CC3(C)COC3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)CC3(C)COC3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1cc(F)nc(F)c1.C[C@H]1Cn2ncc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is HFMTWXAHOJHKEE-VNCWZDCSSA-N. The full InChI is InChI=1S/C20H19F4N5O2.2C20H21F3N4O3.C19H18F6N4O2.C18H18F5N5O2.C17H15F6N5O2/c1-11(20(22,23)24)5-18(30)15-8-26-29-9-12(2)28(10-17(15)29)19(31)27-14-3-4-16(21)13(6-14)7-25;1-11-7-27-16(13(6-24-27)17(28)5-20(2)9-30-10-20)8-26(11)19(29)25-12-3-14(21)18(23)15(22)4-12;1-11-6-26-10-24-18(16(28)5-20(2)8-30-9-20)15(26)7-27(11)19(29)25-12-3-13(21)17(23)14(22)4-12;1-9(19(23,24)25)3-15(30)17-14-7-29(10(2)6-28(14)8-26-17)18(31)27-11-4-12(20)16(22)13(21)5-11;1-9(18(21,22)23)3-14(29)12-6-24-28-7-10(2)27(8-13(12)28)17(30)25-11-4-15(19)26-16(20)5-11;1-8(17(21,22)23)4-13(29)15-12-7-27(2-3-28(12)26-25-15)16(30)24-9-5-10(18)14(20)11(19)6-9/h3-4,6,8,11-12H,5,9-10H2,1-2H3,(H,27,31);3-4,6,11H,5,7-10H2,1-2H3,(H,25,29);3-4,10-11H,5-9H2,1-2H3,(H,25,29);4-5,8-10H,3,6-7H2,1-2H3,(H,27,31);4-6,9-10H,3,7-8H2,1-2H3,(H,25,26,30);5-6,8H,2-4,7H2,1H3,(H,24,30)/t11-,12-;2*11-;2*9-,10-;8-/m000000/s1.
What are the key properties of (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 2597.27 g/mol, XLogP of 22.58, 24 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 158463826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).