2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone

C154H126Cl2F32N36O9 — CID 159933574

IUPAC2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone
SMILESCc1nc(C(F)(F)F)cn1CC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.Cc1nc(C(F)(F)F)nn1CC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(C(O)c1cccc(C(F)(F)F)c1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cc1ccc(C(F)(F)F)c(Cl)c1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cc1ccc(Cl)c(C(F)(F)F)c1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cc1nccc(C(F)(F)F)n1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1cnc(C(F)(F)F)c1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1cnc(C(F)(F)F)n1)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/2C21H16ClF4N3O.C21H17F4N3O2.C19H17F4N5O.C19H15F4N5O.C18H16F4N6O.C18H15F4N5O.C17H14F4N6O/c22-17-8-3-13(10-16(17)21(24,25)26)11-20(30)28-9-1-2-18-19(28)12-27-29(18)15-6-4-14(23)5-7-15;22-17-10-13(3-8-16(17)21(24,25)26)11-20(30)28-9-1-2-18-19(28)12-27-29(18)15-6-4-14(23)5-7-15;22-15-6-8-16(9-7-15)28-17-5-2-10-27(18(17)12-26-28)20(30)19(29)13-3-1-4-14(11-13)21(23,24)25;1-12-25-17(19(21,22)23)10-26(12)11-18(29)27-8-2-3-15-16(27)9-24-28(15)14-6-4-13(20)5-7-14;20-12-3-5-13(6-4-12)28-14-2-1-9-27(15(14)11-25-28)18(29)10-17-24-8-7-16(26-17)19(21,22)23;1-11-24-17(18(20,21)22)25-27(11)10-16(29)26-8-2-3-14-15(26)9-23-28(14)13-6-4-12(19)5-7-13;19-12-3-5-13(6-4-12)27-14-2-1-7-26(15(14)8-24-27)17(28)10-25-9-16(23-11-25)18(20,21)22;18-11-3-5-12(6-4-11)27-13-2-1-7-26(14(13)8-23-27)15(28)9-25-10-22-16(24-25)17(19,20)21/h2*3-8,10,12H,1-2,9,11H2;1,3-4,6-9,11-12,19,29H,2,5,10H2;4-7,9-10H,2-3,8,11H2,1H3;3-8,11H,1-2,9-10H2;4-7,9H,2-3,8,10H2,1H3;3-6,8-9,11H,1-2,7,10H2;3-6,8,10H,1-2,7,9H2
InChIKeyNZYLJYQNGGRMCU-UHFFFAOYSA-N
MW3303.79 g/mol
LogP30.03
Rot. Bonds24

About 2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone

2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone (PubChem CID 159933574) has the molecular formula C154H126Cl2F32N36O9 and a molecular weight of 3303.79 g/mol. Its IUPAC name is 2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone
PubChem CID159933574
Molecular FormulaC154H126Cl2F32N36O9
Molecular Weight3303.79 g/mol
Exact Mass3300.94
IUPAC Name2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone
SMILESCc1nc(C(F)(F)F)cn1CC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.Cc1nc(C(F)(F)F)nn1CC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(C(O)c1cccc(C(F)(F)F)c1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cc1ccc(C(F)(F)F)c(Cl)c1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cc1ccc(Cl)c(C(F)(F)F)c1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cc1nccc(C(F)(F)F)n1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1cnc(C(F)(F)F)c1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1cnc(C(F)(F)F)n1)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/2C21H16ClF4N3O.C21H17F4N3O2.C19H17F4N5O.C19H15F4N5O.C18H16F4N6O.C18H15F4N5O.C17H14F4N6O/c22-17-8-3-13(10-16(17)21(24,25)26)11-20(30)28-9-1-2-18-19(28)12-27-29(18)15-6-4-14(23)5-7-15;22-17-10-13(3-8-16(17)21(24,25)26)11-20(30)28-9-1-2-18-19(28)12-27-29(18)15-6-4-14(23)5-7-15;22-15-6-8-16(9-7-15)28-17-5-2-10-27(18(17)12-26-28)20(30)19(29)13-3-1-4-14(11-13)21(23,24)25;1-12-25-17(19(21,22)23)10-26(12)11-18(29)27-8-2-3-15-16(27)9-24-28(15)14-6-4-13(20)5-7-14;20-12-3-5-13(6-4-12)28-14-2-1-9-27(15(14)11-25-28)18(29)10-17-24-8-7-16(26-17)19(21,22)23;1-11-24-17(18(20,21)22)25-27(11)10-16(29)26-8-2-3-14-15(26)9-23-28(14)13-6-4-12(19)5-7-13;19-12-3-5-13(6-4-12)27-14-2-1-7-26(15(14)8-24-27)17(28)10-25-9-16(23-11-25)18(20,21)22;18-11-3-5-12(6-4-11)27-13-2-1-7-26(14(13)8-23-27)15(28)9-25-10-22-16(24-25)17(19,20)21/h2*3-8,10,12H,1-2,9,11H2;1,3-4,6-9,11-12,19,29H,2,5,10H2;4-7,9-10H,2-3,8,11H2,1H3;3-8,11H,1-2,9-10H2;4-7,9H,2-3,8,10H2,1H3;3-6,8-9,11H,1-2,7,10H2;3-6,8,10H,1-2,7,9H2
InChIKeyNZYLJYQNGGRMCU-UHFFFAOYSA-N
XLogP30.03
TPSA448.11 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003303.79
LogP ≤ 530.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze 2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone?
The IUPAC name of 2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone (CID 159933574) is 2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone.
What is the SMILES notation for 2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone?
The canonical SMILES for 2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone is Cc1nc(C(F)(F)F)cn1CC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.Cc1nc(C(F)(F)F)nn1CC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(C(O)c1cccc(C(F)(F)F)c1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cc1ccc(C(F)(F)F)c(Cl)c1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cc1ccc(Cl)c(C(F)(F)F)c1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cc1nccc(C(F)(F)F)n1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1cnc(C(F)(F)F)c1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1cnc(C(F)(F)F)n1)N1CCCc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone?
The InChIKey is NZYLJYQNGGRMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16ClF4N3O.C21H17F4N3O2.C19H17F4N5O.C19H15F4N5O.C18H16F4N6O.C18H15F4N5O.C17H14F4N6O/c22-17-8-3-13(10-16(17)21(24,25)26)11-20(30)28-9-1-2-18-19(28)12-27-29(18)15-6-4-14(23)5-7-15;22-17-10-13(3-8-16(17)21(24,25)26)11-20(30)28-9-1-2-18-19(28)12-27-29(18)15-6-4-14(23)5-7-15;22-15-6-8-16(9-7-15)28-17-5-2-10-27(18(17)12-26-28)20(30)19(29)13-3-1-4-14(11-13)21(23,24)25;1-12-25-17(19(21,22)23)10-26(12)11-18(29)27-8-2-3-15-16(27)9-24-28(15)14-6-4-13(20)5-7-14;20-12-3-5-13(6-4-12)28-14-2-1-9-27(15(14)11-25-28)18(29)10-17-24-8-7-16(26-17)19(21,22)23;1-11-24-17(18(20,21)22)25-27(11)10-16(29)26-8-2-3-14-15(26)9-23-28(14)13-6-4-12(19)5-7-13;19-12-3-5-13(6-4-12)27-14-2-1-7-26(15(14)8-24-27)17(28)10-25-9-16(23-11-25)18(20,21)22;18-11-3-5-12(6-4-11)27-13-2-1-7-26(14(13)8-23-27)15(28)9-25-10-22-16(24-25)17(19,20)21/h2*3-8,10,12H,1-2,9,11H2;1,3-4,6-9,11-12,19,29H,2,5,10H2;4-7,9-10H,2-3,8,11H2,1H3;3-8,11H,1-2,9-10H2;4-7,9H,2-3,8,10H2,1H3;3-6,8-9,11H,1-2,7,10H2;3-6,8,10H,1-2,7,9H2.
What are the key properties of 2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone?
2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone has a molecular weight of 3303.79 g/mol, XLogP of 30.03, 24 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone is sourced from PubChem (CID 159933574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).