5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

C239H257F5N50O21S — CID 158053026

IUPAC5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)NC4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cn(C)nc5C(F)F)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5C#N)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5C(F)F)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc(Oc4ccccc4)c3)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NC)nc5)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(-c3c(F)ccc4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1
InChIInChI=1S/C30H32N6O3.2C27H28F2N6O2.C27H27N7O2.C27H30N6O2.C27H29N5O2S.C26H28FN7O2.C26H29N3O3.C22H26N4O3/c1-3-28(37)35-12-9-27-24(18-35)29(34-36(27)21-10-13-39-14-11-21)22-6-4-5-19-15-26(33-17-23(19)22)20-7-8-25(32-16-20)30(38)31-2;1-16(36)34-9-6-24-22(15-34)25(32-35(24)18-7-10-37-11-8-18)19-5-3-4-17-12-23(30-13-20(17)19)21-14-33(2)31-26(21)27(28)29;1-16(36)34-9-6-24-22(15-34)25(32-35(24)18-7-10-37-11-8-18)19-5-3-4-17-12-23(30-13-20(17)19)21-14-31-33(2)26(21)27(28)29;1-17(35)33-9-6-25-23(16-33)27(31-34(25)19-7-10-36-11-8-19)20-5-3-4-18-12-24(29-14-21(18)20)22-15-30-32(2)26(22)13-28;1-3-26(34)32-10-7-25-23(17-32)27(30-33(25)20-8-11-35-12-9-20)21-6-4-5-18-13-24(28-15-22(18)21)19-14-29-31(2)16-19;1-3-26(33)31-10-7-24-22(16-31)27(30-32(24)19-8-11-34-12-9-19)20-6-4-5-18-13-23(29-14-21(18)20)25-15-28-17(2)35-25;1-28-26(35)33-8-5-23-20(15-33)25(31-34(23)18-6-9-36-10-7-18)24-19-13-29-22(17-12-30-32(2)14-17)11-16(19)3-4-21(24)27;1-2-25(30)28-14-11-24-23(18-28)26(27-29(24)20-12-15-31-16-13-20)19-7-6-10-22(17-19)32-21-8-4-3-5-9-21;1-14(27)25-8-5-20-19(13-25)22(24-26(20)16-6-9-29-10-7-16)17-4-2-3-15-12-23-21(28)11-18(15)17/h4-8,15-17,21H,3,9-14,18H2,1-2H3,(H,31,38);2*3-5,12-14,18,27H,6-11,15H2,1-2H3;3-5,12,14-15,19H,6-11,16H2,1-2H3;4-6,13-16,20H,3,7-12,17H2,1-2H3;4-6,13-15,19H,3,7-12,16H2,1-2H3;3-4,11-14,18H,5-10,15H2,1-2H3,(H,28,35);3-10,17,20H,2,11-16,18H2,1H3;2-4,16H,5-13H2,1H3,(H,23,28)
InChIKeyFJSDQIUKHQDQNY-UHFFFAOYSA-N
MW4293.07 g/mol
LogP37.15
Rot. Bonds34

About 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 158053026) has the molecular formula C239H257F5N50O21S and a molecular weight of 4293.07 g/mol. Its IUPAC name is 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
PubChem CID158053026
Molecular FormulaC239H257F5N50O21S
Molecular Weight4293.07 g/mol
Exact Mass4290.02
IUPAC Name5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)NC4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cn(C)nc5C(F)F)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5C#N)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5C(F)F)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc(Oc4ccccc4)c3)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NC)nc5)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(-c3c(F)ccc4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1
InChIInChI=1S/C30H32N6O3.2C27H28F2N6O2.C27H27N7O2.C27H30N6O2.C27H29N5O2S.C26H28FN7O2.C26H29N3O3.C22H26N4O3/c1-3-28(37)35-12-9-27-24(18-35)29(34-36(27)21-10-13-39-14-11-21)22-6-4-5-19-15-26(33-17-23(19)22)20-7-8-25(32-16-20)30(38)31-2;1-16(36)34-9-6-24-22(15-34)25(32-35(24)18-7-10-37-11-8-18)19-5-3-4-17-12-23(30-13-20(17)19)21-14-33(2)31-26(21)27(28)29;1-16(36)34-9-6-24-22(15-34)25(32-35(24)18-7-10-37-11-8-18)19-5-3-4-17-12-23(30-13-20(17)19)21-14-31-33(2)26(21)27(28)29;1-17(35)33-9-6-25-23(16-33)27(31-34(25)19-7-10-36-11-8-19)20-5-3-4-18-12-24(29-14-21(18)20)22-15-30-32(2)26(22)13-28;1-3-26(34)32-10-7-25-23(17-32)27(30-33(25)20-8-11-35-12-9-20)21-6-4-5-18-13-24(28-15-22(18)21)19-14-29-31(2)16-19;1-3-26(33)31-10-7-24-22(16-31)27(30-32(24)19-8-11-34-12-9-19)20-6-4-5-18-13-23(29-14-21(18)20)25-15-28-17(2)35-25;1-28-26(35)33-8-5-23-20(15-33)25(31-34(23)18-6-9-36-10-7-18)24-19-13-29-22(17-12-30-32(2)14-17)11-16(19)3-4-21(24)27;1-2-25(30)28-14-11-24-23(18-28)26(27-29(24)20-12-15-31-16-13-20)19-7-6-10-22(17-19)32-21-8-4-3-5-9-21;1-14(27)25-8-5-20-19(13-25)22(24-26(20)16-6-9-29-10-7-16)17-4-2-3-15-12-23-21(28)11-18(15)17/h4-8,15-17,21H,3,9-14,18H2,1-2H3,(H,31,38);2*3-5,12-14,18,27H,6-11,15H2,1-2H3;3-5,12,14-15,19H,6-11,16H2,1-2H3;4-6,13-16,20H,3,7-12,17H2,1-2H3;4-6,13-15,19H,3,7-12,16H2,1-2H3;3-4,11-14,18H,5-10,15H2,1-2H3,(H,28,35);3-10,17,20H,2,11-16,18H2,1H3;2-4,16H,5-13H2,1H3,(H,23,28)
InChIKeyFJSDQIUKHQDQNY-UHFFFAOYSA-N
XLogP37.15
TPSA734.60 Ų
H-Bond Donors3
H-Bond Acceptors60
Rotatable Bonds34
Heavy Atoms316
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004293.07
LogP ≤ 537.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1060

Analyze 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one with MolForge

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What is the IUPAC name of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 158053026) is 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is CC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)NC4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cn(C)nc5C(F)F)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5C#N)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5C(F)F)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc(Oc4ccccc4)c3)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NC)nc5)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(-c3c(F)ccc4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.
What is the InChIKey of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The InChIKey is FJSDQIUKHQDQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3.2C27H28F2N6O2.C27H27N7O2.C27H30N6O2.C27H29N5O2S.C26H28FN7O2.C26H29N3O3.C22H26N4O3/c1-3-28(37)35-12-9-27-24(18-35)29(34-36(27)21-10-13-39-14-11-21)22-6-4-5-19-15-26(33-17-23(19)22)20-7-8-25(32-16-20)30(38)31-2;1-16(36)34-9-6-24-22(15-34)25(32-35(24)18-7-10-37-11-8-18)19-5-3-4-17-12-23(30-13-20(17)19)21-14-33(2)31-26(21)27(28)29;1-16(36)34-9-6-24-22(15-34)25(32-35(24)18-7-10-37-11-8-18)19-5-3-4-17-12-23(30-13-20(17)19)21-14-31-33(2)26(21)27(28)29;1-17(35)33-9-6-25-23(16-33)27(31-34(25)19-7-10-36-11-8-19)20-5-3-4-18-12-24(29-14-21(18)20)22-15-30-32(2)26(22)13-28;1-3-26(34)32-10-7-25-23(17-32)27(30-33(25)20-8-11-35-12-9-20)21-6-4-5-18-13-24(28-15-22(18)21)19-14-29-31(2)16-19;1-3-26(33)31-10-7-24-22(16-31)27(30-32(24)19-8-11-34-12-9-19)20-6-4-5-18-13-23(29-14-21(18)20)25-15-28-17(2)35-25;1-28-26(35)33-8-5-23-20(15-33)25(31-34(23)18-6-9-36-10-7-18)24-19-13-29-22(17-12-30-32(2)14-17)11-16(19)3-4-21(24)27;1-2-25(30)28-14-11-24-23(18-28)26(27-29(24)20-12-15-31-16-13-20)19-7-6-10-22(17-19)32-21-8-4-3-5-9-21;1-14(27)25-8-5-20-19(13-25)22(24-26(20)16-6-9-29-10-7-16)17-4-2-3-15-12-23-21(28)11-18(15)17/h4-8,15-17,21H,3,9-14,18H2,1-2H3,(H,31,38);2*3-5,12-14,18,27H,6-11,15H2,1-2H3;3-5,12,14-15,19H,6-11,16H2,1-2H3;4-6,13-16,20H,3,7-12,17H2,1-2H3;4-6,13-15,19H,3,7-12,16H2,1-2H3;3-4,11-14,18H,5-10,15H2,1-2H3,(H,28,35);3-10,17,20H,2,11-16,18H2,1H3;2-4,16H,5-13H2,1H3,(H,23,28).
What are the key properties of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 4293.07 g/mol, XLogP of 37.15, 34 rotatable bonds, 3 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,4-dihydro-1H-isoquinolin-3-one;4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-5-[8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carboxamide;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 158053026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).