5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C355H393F8N71O35 — CID 165016796

IUPAC5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3c(F)ccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4[nH]ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(=O)[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CCCC4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CN(c3cnn(C)c3)C4=O)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4nc(N)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccn4cc(-c5ccc(N6CCCC6)cc5)nc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccn4cc(-c5cccc(C(F)(F)F)c5)nc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3ccnc4ccccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-n3ccc4ccc(-c5cnn(C)c5)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(C3=CNC4N=CC(C(F)(F)F)=CC34)nn2C2CCOCC2)C1.COc1ccc(-c2cn3cccc(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)c3n2)c(F)c1.COc1ccc(N2Cc3c(cccc3-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)C2=O)cc1
InChIInChI=1S/C30H34N6O2.C28H30N4O4.C27H26F3N5O2.C27H28FN5O3.C25H28N6O3.C25H28N6O2.C23H29N3O2.C22H24N4O3.2C22H24N4O2.C21H24F3N5O2.C21H23FN4O2.C21H24N6O2.C21H24N4O2.C20H23N5O2/c1-21(37)34-16-10-28-26(19-34)29(32-36(28)24-11-17-38-18-12-24)25-5-4-15-35-20-27(31-30(25)35)22-6-8-23(9-7-22)33-13-2-3-14-33;1-18(33)30-13-10-26-25(16-30)27(29-32(26)20-11-14-36-15-12-20)22-4-3-5-23-24(22)17-31(28(23)34)19-6-8-21(35-2)9-7-19;1-17(36)33-11-7-24-22(15-33)25(32-35(24)20-8-12-37-13-9-20)21-6-3-10-34-16-23(31-26(21)34)18-4-2-5-19(14-18)27(28,29)30;1-17(34)31-11-7-25-22(15-31)26(30-33(25)18-8-12-36-13-9-18)21-4-3-10-32-16-24(29-27(21)32)20-6-5-19(35-2)14-23(20)28;1-16(32)29-9-6-23-22(14-29)24(27-31(23)17-7-10-34-11-8-17)19-4-3-5-20-21(19)15-30(25(20)33)18-12-26-28(2)13-18;1-17(32)29-9-6-23-22(16-29)25(27-31(23)21-7-11-33-12-8-21)30-10-5-18-3-4-19(13-24(18)30)20-14-26-28(2)15-20;1-16(27)25-12-9-22-21(15-25)23(24-26(22)18-10-13-28-14-11-18)20-8-4-6-17-5-2-3-7-19(17)20;1-14(27)25-10-6-20-19(13-25)21(24-26(20)15-7-11-29-12-8-15)17-3-2-4-18-16(17)5-9-23-22(18)28;1-15(27)25-10-6-21-20(14-25)22(24-26(21)17-7-11-28-12-8-17)18-4-2-3-16-5-9-23-13-19(16)18;1-15(27)25-11-7-21-19(14-25)22(24-26(21)16-8-12-28-13-9-16)18-6-10-23-20-5-3-2-4-17(18)20;1-12(30)28-5-2-18-17(11-28)19(27-29(18)14-3-6-31-7-4-14)16-10-26-20-15(16)8-13(9-25-20)21(22,23)24;1-13(27)25-9-5-19-16(12-25)21(24-26(19)14-6-10-28-11-7-14)20-15-4-8-23-18(15)3-2-17(20)22;1-13(28)26-8-5-19-17(12-26)20(25-27(19)14-6-9-29-10-7-14)15-3-2-4-18-16(15)11-23-21(22)24-18;1-14(26)24-10-6-20-18(13-24)21(23-25(20)15-7-11-27-12-8-15)17-3-2-4-19-16(17)5-9-22-19;1-13(26)24-8-5-19-17(12-24)20(23-25(19)14-6-9-27-10-7-14)15-3-2-4-18-16(15)11-21-22-18/h4-9,15,20,24H,2-3,10-14,16-19H2,1H3;3-9,20H,10-17H2,1-2H3;2-6,10,14,16,20H,7-9,11-13,15H2,1H3;3-6,10,14,16,18H,7-9,11-13,15H2,1-2H3;3-5,12-13,17H,6-11,14-15H2,1-2H3;3-5,10,13-15,21H,6-9,11-12,16H2,1-2H3;4,6,8,18H,2-3,5,7,9-15H2,1H3;2-5,9,15H,6-8,10-13H2,1H3,(H,23,28);2-5,9,13,17H,6-8,10-12,14H2,1H3;2-6,10,16H,7-9,11-14H2,1H3;8-10,14-15,20,26H,2-7,11H2,1H3;2-4,8,14,23H,5-7,9-12H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H2,22,23,24);2-5,9,15,22H,6-8,10-13H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H,21,22)
InChIKeyKNWMKIBAPNNXEG-UHFFFAOYSA-N
MW6366.50 g/mol
LogP51.66
Rot. Bonds39

About 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 165016796) has the molecular formula C355H393F8N71O35 and a molecular weight of 6366.50 g/mol. Its IUPAC name is 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID165016796
Molecular FormulaC355H393F8N71O35
Molecular Weight6366.50 g/mol
Exact Mass6362.10
IUPAC Name5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3c(F)ccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4[nH]ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(=O)[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CCCC4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CN(c3cnn(C)c3)C4=O)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4nc(N)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccn4cc(-c5ccc(N6CCCC6)cc5)nc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccn4cc(-c5cccc(C(F)(F)F)c5)nc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3ccnc4ccccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-n3ccc4ccc(-c5cnn(C)c5)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(C3=CNC4N=CC(C(F)(F)F)=CC34)nn2C2CCOCC2)C1.COc1ccc(-c2cn3cccc(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)c3n2)c(F)c1.COc1ccc(N2Cc3c(cccc3-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)C2=O)cc1
InChIInChI=1S/C30H34N6O2.C28H30N4O4.C27H26F3N5O2.C27H28FN5O3.C25H28N6O3.C25H28N6O2.C23H29N3O2.C22H24N4O3.2C22H24N4O2.C21H24F3N5O2.C21H23FN4O2.C21H24N6O2.C21H24N4O2.C20H23N5O2/c1-21(37)34-16-10-28-26(19-34)29(32-36(28)24-11-17-38-18-12-24)25-5-4-15-35-20-27(31-30(25)35)22-6-8-23(9-7-22)33-13-2-3-14-33;1-18(33)30-13-10-26-25(16-30)27(29-32(26)20-11-14-36-15-12-20)22-4-3-5-23-24(22)17-31(28(23)34)19-6-8-21(35-2)9-7-19;1-17(36)33-11-7-24-22(15-33)25(32-35(24)20-8-12-37-13-9-20)21-6-3-10-34-16-23(31-26(21)34)18-4-2-5-19(14-18)27(28,29)30;1-17(34)31-11-7-25-22(15-31)26(30-33(25)18-8-12-36-13-9-18)21-4-3-10-32-16-24(29-27(21)32)20-6-5-19(35-2)14-23(20)28;1-16(32)29-9-6-23-22(14-29)24(27-31(23)17-7-10-34-11-8-17)19-4-3-5-20-21(19)15-30(25(20)33)18-12-26-28(2)13-18;1-17(32)29-9-6-23-22(16-29)25(27-31(23)21-7-11-33-12-8-21)30-10-5-18-3-4-19(13-24(18)30)20-14-26-28(2)15-20;1-16(27)25-12-9-22-21(15-25)23(24-26(22)18-10-13-28-14-11-18)20-8-4-6-17-5-2-3-7-19(17)20;1-14(27)25-10-6-20-19(13-25)21(24-26(20)15-7-11-29-12-8-15)17-3-2-4-18-16(17)5-9-23-22(18)28;1-15(27)25-10-6-21-20(14-25)22(24-26(21)17-7-11-28-12-8-17)18-4-2-3-16-5-9-23-13-19(16)18;1-15(27)25-11-7-21-19(14-25)22(24-26(21)16-8-12-28-13-9-16)18-6-10-23-20-5-3-2-4-17(18)20;1-12(30)28-5-2-18-17(11-28)19(27-29(18)14-3-6-31-7-4-14)16-10-26-20-15(16)8-13(9-25-20)21(22,23)24;1-13(27)25-9-5-19-16(12-25)21(24-26(19)14-6-10-28-11-7-14)20-15-4-8-23-18(15)3-2-17(20)22;1-13(28)26-8-5-19-17(12-26)20(25-27(19)14-6-9-29-10-7-14)15-3-2-4-18-16(15)11-23-21(22)24-18;1-14(26)24-10-6-20-18(13-24)21(23-25(20)15-7-11-27-12-8-15)17-3-2-4-19-16(17)5-9-22-19;1-13(26)24-8-5-19-17(12-24)20(23-25(19)14-6-9-27-10-7-14)15-3-2-4-18-16(15)11-21-22-18/h4-9,15,20,24H,2-3,10-14,16-19H2,1H3;3-9,20H,10-17H2,1-2H3;2-6,10,14,16,20H,7-9,11-13,15H2,1H3;3-6,10,14,16,18H,7-9,11-13,15H2,1-2H3;3-5,12-13,17H,6-11,14-15H2,1-2H3;3-5,10,13-15,21H,6-9,11-12,16H2,1-2H3;4,6,8,18H,2-3,5,7,9-15H2,1H3;2-5,9,15H,6-8,10-13H2,1H3,(H,23,28);2-5,9,13,17H,6-8,10-12,14H2,1H3;2-6,10,16H,7-9,11-14H2,1H3;8-10,14-15,20,26H,2-7,11H2,1H3;2-4,8,14,23H,5-7,9-12H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H2,22,23,24);2-5,9,15,22H,6-8,10-13H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H,21,22)
InChIKeyKNWMKIBAPNNXEG-UHFFFAOYSA-N
XLogP51.66
TPSA1060.28 Ų
H-Bond Donors6
H-Bond Acceptors85
Rotatable Bonds39
Heavy Atoms469
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006366.50
LogP ≤ 551.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1085

Analyze 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 165016796) is 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3c(F)ccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4[nH]ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(=O)[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CCCC4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CN(c3cnn(C)c3)C4=O)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4nc(N)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccn4cc(-c5ccc(N6CCCC6)cc5)nc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccn4cc(-c5cccc(C(F)(F)F)c5)nc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3ccnc4ccccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-n3ccc4ccc(-c5cnn(C)c5)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(C3=CNC4N=CC(C(F)(F)F)=CC34)nn2C2CCOCC2)C1.COc1ccc(-c2cn3cccc(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)c3n2)c(F)c1.COc1ccc(N2Cc3c(cccc3-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)C2=O)cc1.
What is the InChIKey of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is KNWMKIBAPNNXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2.C28H30N4O4.C27H26F3N5O2.C27H28FN5O3.C25H28N6O3.C25H28N6O2.C23H29N3O2.C22H24N4O3.2C22H24N4O2.C21H24F3N5O2.C21H23FN4O2.C21H24N6O2.C21H24N4O2.C20H23N5O2/c1-21(37)34-16-10-28-26(19-34)29(32-36(28)24-11-17-38-18-12-24)25-5-4-15-35-20-27(31-30(25)35)22-6-8-23(9-7-22)33-13-2-3-14-33;1-18(33)30-13-10-26-25(16-30)27(29-32(26)20-11-14-36-15-12-20)22-4-3-5-23-24(22)17-31(28(23)34)19-6-8-21(35-2)9-7-19;1-17(36)33-11-7-24-22(15-33)25(32-35(24)20-8-12-37-13-9-20)21-6-3-10-34-16-23(31-26(21)34)18-4-2-5-19(14-18)27(28,29)30;1-17(34)31-11-7-25-22(15-31)26(30-33(25)18-8-12-36-13-9-18)21-4-3-10-32-16-24(29-27(21)32)20-6-5-19(35-2)14-23(20)28;1-16(32)29-9-6-23-22(14-29)24(27-31(23)17-7-10-34-11-8-17)19-4-3-5-20-21(19)15-30(25(20)33)18-12-26-28(2)13-18;1-17(32)29-9-6-23-22(16-29)25(27-31(23)21-7-11-33-12-8-21)30-10-5-18-3-4-19(13-24(18)30)20-14-26-28(2)15-20;1-16(27)25-12-9-22-21(15-25)23(24-26(22)18-10-13-28-14-11-18)20-8-4-6-17-5-2-3-7-19(17)20;1-14(27)25-10-6-20-19(13-25)21(24-26(20)15-7-11-29-12-8-15)17-3-2-4-18-16(17)5-9-23-22(18)28;1-15(27)25-10-6-21-20(14-25)22(24-26(21)17-7-11-28-12-8-17)18-4-2-3-16-5-9-23-13-19(16)18;1-15(27)25-11-7-21-19(14-25)22(24-26(21)16-8-12-28-13-9-16)18-6-10-23-20-5-3-2-4-17(18)20;1-12(30)28-5-2-18-17(11-28)19(27-29(18)14-3-6-31-7-4-14)16-10-26-20-15(16)8-13(9-25-20)21(22,23)24;1-13(27)25-9-5-19-16(12-25)21(24-26(19)14-6-10-28-11-7-14)20-15-4-8-23-18(15)3-2-17(20)22;1-13(28)26-8-5-19-17(12-26)20(25-27(19)14-6-9-29-10-7-14)15-3-2-4-18-16(15)11-23-21(22)24-18;1-14(26)24-10-6-20-18(13-24)21(23-25(20)15-7-11-27-12-8-15)17-3-2-4-19-16(17)5-9-22-19;1-13(26)24-8-5-19-17(12-24)20(23-25(19)14-6-9-27-10-7-14)15-3-2-4-18-16(15)11-21-22-18/h4-9,15,20,24H,2-3,10-14,16-19H2,1H3;3-9,20H,10-17H2,1-2H3;2-6,10,14,16,20H,7-9,11-13,15H2,1H3;3-6,10,14,16,18H,7-9,11-13,15H2,1-2H3;3-5,12-13,17H,6-11,14-15H2,1-2H3;3-5,10,13-15,21H,6-9,11-12,16H2,1-2H3;4,6,8,18H,2-3,5,7,9-15H2,1H3;2-5,9,15H,6-8,10-13H2,1H3,(H,23,28);2-5,9,13,17H,6-8,10-12,14H2,1H3;2-6,10,16H,7-9,11-14H2,1H3;8-10,14-15,20,26H,2-7,11H2,1H3;2-4,8,14,23H,5-7,9-12H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H2,22,23,24);2-5,9,15,22H,6-8,10-13H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H,21,22).
What are the key properties of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 6366.50 g/mol, XLogP of 51.66, 39 rotatable bonds, 6 hydrogen bond donors, and 85 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]-2H-isoquinolin-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 165016796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).