2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone

C167H146F23N41O10 — CID 159003755

IUPAC2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cc1nc2ccccc2o1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1ccc2cccnc21)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1nc(C(F)(F)F)c2c1OCCC2)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1nc(C(F)(F)F)c2cccnc21)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1ncc2cccnc21)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H21F4N5O.C21H16F4N6O.C21H19F4N5O2.C21H19F4N5O.C21H18FN5O.C21H17FN4O2.C20H19F4N5O.C20H17FN6O/c23-14-7-9-15(10-8-14)31-18-6-3-11-29(19(18)12-27-31)20(32)13-30-17-5-2-1-4-16(17)21(28-30)22(24,25)26;22-13-5-7-14(8-6-13)31-16-4-2-10-29(17(16)11-27-31)18(32)12-30-20-15(3-1-9-26-20)19(28-30)21(23,24)25;22-13-5-7-14(8-6-13)30-16-4-1-9-28(17(16)11-26-30)18(31)12-29-20-15(3-2-10-32-20)19(27-29)21(23,24)25;22-13-6-8-14(9-7-13)30-17-5-2-10-28(18(17)11-26-30)19(31)12-29-16-4-1-3-15(16)20(27-29)21(23,24)25;22-16-5-7-17(8-6-16)27-18-4-2-11-26(19(18)13-24-27)20(28)14-25-12-9-15-3-1-10-23-21(15)25;22-14-7-9-15(10-8-14)26-17-5-3-11-25(18(17)13-23-26)21(27)12-20-24-16-4-1-2-6-19(16)28-20;1-12-10-18(20(22,23)24)26-28(12)13(2)19(30)27-9-3-4-16-17(27)11-25-29(16)15-7-5-14(21)6-8-15;21-15-5-7-16(8-6-15)27-17-4-2-10-25(18(17)12-24-27)19(28)13-26-20-14(11-23-26)3-1-9-22-20/h7-10,12H,1-6,11,13H2;1,3,5-9,11H,2,4,10,12H2;5-8,11H,1-4,9-10,12H2;6-9,11H,1-5,10,12H2;1,3,5-10,12-13H,2,4,11,14H2;1-2,4,6-10,13H,3,5,11-12H2;5-8,10-11,13H,3-4,9H2,1-2H3;1,3,5-9,11-12H,2,4,10,13H2
InChIKeyJRQVUIZBXGGTRK-UHFFFAOYSA-N
MW3324.24 g/mol
LogP28.89
Rot. Bonds24

About 2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone

2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone (PubChem CID 159003755) has the molecular formula C167H146F23N41O10 and a molecular weight of 3324.24 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
PubChem CID159003755
Molecular FormulaC167H146F23N41O10
Molecular Weight3324.24 g/mol
Exact Mass3322.18
IUPAC Name2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cc1nc2ccccc2o1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1ccc2cccnc21)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1nc(C(F)(F)F)c2c1OCCC2)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1nc(C(F)(F)F)c2cccnc21)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1ncc2cccnc21)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H21F4N5O.C21H16F4N6O.C21H19F4N5O2.C21H19F4N5O.C21H18FN5O.C21H17FN4O2.C20H19F4N5O.C20H17FN6O/c23-14-7-9-15(10-8-14)31-18-6-3-11-29(19(18)12-27-31)20(32)13-30-17-5-2-1-4-16(17)21(28-30)22(24,25)26;22-13-5-7-14(8-6-13)31-16-4-2-10-29(17(16)11-27-31)18(32)12-30-20-15(3-1-9-26-20)19(28-30)21(23,24)25;22-13-5-7-14(8-6-13)30-16-4-1-9-28(17(16)11-26-30)18(31)12-29-20-15(3-2-10-32-20)19(27-29)21(23,24)25;22-13-6-8-14(9-7-13)30-17-5-2-10-28(18(17)11-26-30)19(31)12-29-16-4-1-3-15(16)20(27-29)21(23,24)25;22-16-5-7-17(8-6-16)27-18-4-2-11-26(19(18)13-24-27)20(28)14-25-12-9-15-3-1-10-23-21(15)25;22-14-7-9-15(10-8-14)26-17-5-3-11-25(18(17)13-23-26)21(27)12-20-24-16-4-1-2-6-19(16)28-20;1-12-10-18(20(22,23)24)26-28(12)13(2)19(30)27-9-3-4-16-17(27)11-25-29(16)15-7-5-14(21)6-8-15;21-15-5-7-16(8-6-15)27-17-4-2-10-25(18(17)12-24-27)19(28)13-26-20-14(11-23-26)3-1-9-22-20/h7-10,12H,1-6,11,13H2;1,3,5-9,11H,2,4,10,12H2;5-8,11H,1-4,9-10,12H2;6-9,11H,1-5,10,12H2;1,3,5-10,12-13H,2,4,11,14H2;1-2,4,6-10,13H,3,5,11-12H2;5-8,10-11,13H,3-4,9H2,1-2H3;1,3,5-9,11-12H,2,4,10,13H2
InChIKeyJRQVUIZBXGGTRK-UHFFFAOYSA-N
XLogP28.89
TPSA490.82 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds24
Heavy Atoms241
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003324.24
LogP ≤ 528.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone (CID 159003755) is 2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone is Cc1cc(C(F)(F)F)nn1C(C)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cc1nc2ccccc2o1)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1ccc2cccnc21)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1nc(C(F)(F)F)c2c1OCCC2)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1nc(C(F)(F)F)c2cccnc21)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1ncc2cccnc21)N1CCCc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
The InChIKey is JRQVUIZBXGGTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N5O.C21H16F4N6O.C21H19F4N5O2.C21H19F4N5O.C21H18FN5O.C21H17FN4O2.C20H19F4N5O.C20H17FN6O/c23-14-7-9-15(10-8-14)31-18-6-3-11-29(19(18)12-27-31)20(32)13-30-17-5-2-1-4-16(17)21(28-30)22(24,25)26;22-13-5-7-14(8-6-13)31-16-4-2-10-29(17(16)11-27-31)18(32)12-30-20-15(3-1-9-26-20)19(28-30)21(23,24)25;22-13-5-7-14(8-6-13)30-16-4-1-9-28(17(16)11-26-30)18(31)12-29-20-15(3-2-10-32-20)19(27-29)21(23,24)25;22-13-6-8-14(9-7-13)30-17-5-2-10-28(18(17)11-26-30)19(31)12-29-16-4-1-3-15(16)20(27-29)21(23,24)25;22-16-5-7-17(8-6-16)27-18-4-2-11-26(19(18)13-24-27)20(28)14-25-12-9-15-3-1-10-23-21(15)25;22-14-7-9-15(10-8-14)26-17-5-3-11-25(18(17)13-23-26)21(27)12-20-24-16-4-1-2-6-19(16)28-20;1-12-10-18(20(22,23)24)26-28(12)13(2)19(30)27-9-3-4-16-17(27)11-25-29(16)15-7-5-14(21)6-8-15;21-15-5-7-16(8-6-15)27-17-4-2-10-25(18(17)12-24-27)19(28)13-26-20-14(11-23-26)3-1-9-22-20/h7-10,12H,1-6,11,13H2;1,3,5-9,11H,2,4,10,12H2;5-8,11H,1-4,9-10,12H2;6-9,11H,1-5,10,12H2;1,3,5-10,12-13H,2,4,11,14H2;1-2,4,6-10,13H,3,5,11-12H2;5-8,10-11,13H,3-4,9H2,1-2H3;1,3,5-9,11-12H,2,4,10,13H2.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone has a molecular weight of 3324.24 g/mol, XLogP of 28.89, 24 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone is sourced from PubChem (CID 159003755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).