tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid

C112H124F19IN26O21 — CID 162293818

IUPACtert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)c1cnn2c1CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)C2.COC(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)[C@@H](C)C2.COC(=O)c1cnn2c1CN[C@@H](C)C2.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]1Cn2ncc(C(=O)O)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.O=C(O)C(F)(F)F.O=Nc1ccc(F)c(F)c1
InChIInChI=1S/2C19H19F5N4O2.C16H16F2N4O3.C15H14F2N4O3.C14H21N3O4.C12H18IN3O2.C9H13N3O2.C6H3F2NO.C2HF3O2/c1-10(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;1-9-7-22-14(11(6-19-22)15(23)25-2)8-21(9)16(24)20-10-3-4-12(17)13(18)5-10;1-8-6-21-13(10(5-18-21)14(22)23)7-20(8)15(24)19-9-2-3-11(16)12(17)4-9;1-9-7-17-11(10(6-15-17)12(18)20-5)8-16(9)13(19)21-14(2,3)4;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;1-6-5-12-8(4-10-6)7(3-11-12)9(13)14-2;7-5-2-1-4(9-10)3-6(5)8;3-2(4,5)1(6)7/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,26,30);3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30);3-6,9H,7-8H2,1-2H3,(H,20,24);2-5,8H,6-7H2,1H3,(H,19,24)(H,22,23);6,9H,7-8H2,1-5H3;5,8H,6-7H2,1-4H3;3,6,10H,4-5H2,1-2H3;1-3H;(H,6,7)/t2*10-,11-;9-;8-;9-;8-;6-;;/m0000000../s1
InChIKeySKXIQZPTWFYVGY-INLDGUNYSA-N
MW2658.25 g/mol
LogP21.01
Rot. Bonds15

About tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid

tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 162293818) has the molecular formula C112H124F19IN26O21 and a molecular weight of 2658.25 g/mol. Its IUPAC name is tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nametert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID162293818
Molecular FormulaC112H124F19IN26O21
Molecular Weight2658.25 g/mol
Exact Mass2656.82
IUPAC Nametert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)c1cnn2c1CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)C2.COC(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)[C@@H](C)C2.COC(=O)c1cnn2c1CN[C@@H](C)C2.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]1Cn2ncc(C(=O)O)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.O=C(O)C(F)(F)F.O=Nc1ccc(F)c(F)c1
InChIInChI=1S/2C19H19F5N4O2.C16H16F2N4O3.C15H14F2N4O3.C14H21N3O4.C12H18IN3O2.C9H13N3O2.C6H3F2NO.C2HF3O2/c1-10(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;1-9-7-22-14(11(6-19-22)15(23)25-2)8-21(9)16(24)20-10-3-4-12(17)13(18)5-10;1-8-6-21-13(10(5-18-21)14(22)23)7-20(8)15(24)19-9-2-3-11(16)12(17)4-9;1-9-7-17-11(10(6-15-17)12(18)20-5)8-16(9)13(19)21-14(2,3)4;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;1-6-5-12-8(4-10-6)7(3-11-12)9(13)14-2;7-5-2-1-4(9-10)3-6(5)8;3-2(4,5)1(6)7/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,26,30);3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30);3-6,9H,7-8H2,1-2H3,(H,20,24);2-5,8H,6-7H2,1H3,(H,19,24)(H,22,23);6,9H,7-8H2,1-5H3;5,8H,6-7H2,1-4H3;3,6,10H,4-5H2,1-2H3;1-3H;(H,6,7)/t2*10-,11-;9-;8-;9-;8-;6-;;/m0000000../s1
InChIKeySKXIQZPTWFYVGY-INLDGUNYSA-N
XLogP21.01
TPSA542.28 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds15
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002658.25
LogP ≤ 521.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;bis((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);methyl (6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 157543367
5-amino-2-fluorobenzonitrile;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;tert-butyl (6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis((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)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;2,2,2-trifluoroacetic acid;(3S)-4,4,4-trifluoro-3-methyl-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]butan-1-one
CID 157585884
(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
bis((6S)-3-(3,3-dimethylbutanoyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide);methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;2-methylpropan-2-amine;(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;2,2,2-trifluoroacetic acid;3,4,5-trifluoroaniline
CID 160261160
tert-butyl 3-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;3,4-difluoroaniline;bis(N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide);methyl 5-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 160645325
5-amino-2-fluorobenzonitrile;7-O-tert-butyl 1-O-methyl 6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid;(3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one
CID 160716475
N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 161438404
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)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);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-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 161838810
5-[(3-cyano-4-fluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;methyl 5-[(3-cyano-4-fluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 157096936
lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride
CID 157169413
CID 157691619
CID 157691619
(6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid
CID 158202764

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid (CID 162293818) is tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid is COC(=O)c1cnn2c1CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)C2.COC(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)[C@@H](C)C2.COC(=O)c1cnn2c1CN[C@@H](C)C2.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]1Cn2ncc(C(=O)O)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.O=C(O)C(F)(F)F.O=Nc1ccc(F)c(F)c1.
What is the InChIKey of tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is SKXIQZPTWFYVGY-INLDGUNYSA-N. The full InChI is InChI=1S/2C19H19F5N4O2.C16H16F2N4O3.C15H14F2N4O3.C14H21N3O4.C12H18IN3O2.C9H13N3O2.C6H3F2NO.C2HF3O2/c1-10(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;1-9-7-22-14(11(6-19-22)15(23)25-2)8-21(9)16(24)20-10-3-4-12(17)13(18)5-10;1-8-6-21-13(10(5-18-21)14(22)23)7-20(8)15(24)19-9-2-3-11(16)12(17)4-9;1-9-7-17-11(10(6-15-17)12(18)20-5)8-16(9)13(19)21-14(2,3)4;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;1-6-5-12-8(4-10-6)7(3-11-12)9(13)14-2;7-5-2-1-4(9-10)3-6(5)8;3-2(4,5)1(6)7/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,26,30);3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30);3-6,9H,7-8H2,1-2H3,(H,20,24);2-5,8H,6-7H2,1H3,(H,19,24)(H,22,23);6,9H,7-8H2,1-5H3;5,8H,6-7H2,1-4H3;3,6,10H,4-5H2,1-2H3;1-3H;(H,6,7)/t2*10-,11-;9-;8-;9-;8-;6-;;/m0000000../s1.
What are the key properties of tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid?
tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 2658.25 g/mol, XLogP of 21.01, 15 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;5-O-tert-butyl 3-O-methyl (6S)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate;1,2-difluoro-4-nitrosobenzene;(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;(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)-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;methyl (6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;methyl (6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162293818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).