1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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

C228H254N46O19 — CID 160764700

IUPAC1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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
SMILESC=Cc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1.CC(=O)N1CCc2c(c(-c3c[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C)C1.CC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2C)C1.CC(=O)N1CCc2c(c(-c3cc(C)cc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cc(CO)cc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3ccc(C)c4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cn(C)c4ccccc34)nn2C)C1.CCC(=O)N1CCc2c(c(-c3ccc(C)c4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CCc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1.COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1
InChIInChI=1S/C28H32N6O2.C27H30N6O2.C24H28N4O2.C24H26N4O2.2C23H26N4O3.C23H26N4O2.C21H22N6O.C18H20N4O.C17H18N4O/c1-4-27(35)33-10-7-26-24(17-33)28(31-34(26)20-8-11-36-12-9-20)21-6-5-18(2)22-13-25(29-15-23(21)22)19-14-30-32(3)16-19;1-17-4-5-21(23-14-28-25(12-22(17)23)19-13-29-31(3)15-19)27-24-16-32(18(2)34)9-6-26(24)33(30-27)20-7-10-35-11-8-20;2*1-3-17-12-18-4-8-25-14-21(18)20(13-17)24-22-15-27(16(2)29)9-5-23(22)28(26-24)19-6-10-30-11-7-19;1-15(28)26-8-4-22-21(14-26)23(25-27(22)17-5-9-30-10-6-17)19-12-18(29-2)11-16-3-7-24-13-20(16)19;1-15(29)26-7-3-22-21(13-26)23(25-27(22)18-4-8-30-9-5-18)19-11-16(14-28)10-17-2-6-24-12-20(17)19;1-15-11-17-3-7-24-13-20(17)19(12-15)23-21-14-26(16(2)28)8-4-22(21)27(25-23)18-5-9-29-10-6-18;1-13(28)27-7-6-20-18(12-27)21(24-26(20)3)17-10-22-19-8-14(4-5-16(17)19)15-9-23-25(2)11-15;1-12(23)22-9-8-17-15(11-22)18(19-21(17)3)14-10-20(2)16-7-5-4-6-13(14)16;1-11(22)21-8-7-16-14(10-21)17(19-20(16)2)13-9-18-15-6-4-3-5-12(13)15/h5-6,13-16,20H,4,7-12,17H2,1-3H3;4-5,12-15,20H,6-11,16H2,1-3H3;4,8,12-14,19H,3,5-7,9-11,15H2,1-2H3;3-4,8,12-14,19H,1,5-7,9-11,15H2,2H3;3,7,11-13,17H,4-6,8-10,14H2,1-2H3;2,6,10-12,18,28H,3-5,7-9,13-14H2,1H3;3,7,11-13,18H,4-6,8-10,14H2,1-2H3;4-5,8-11,22H,6-7,12H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;3-6,9,18H,7-8,10H2,1-2H3
InChIKeyRYNJKWHRFWBBSP-UHFFFAOYSA-N
MW3942.84 g/mol
LogP34.13
Rot. Bonds25

About 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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 (PubChem CID 160764700) has the molecular formula C228H254N46O19 and a molecular weight of 3942.84 g/mol. Its IUPAC name is 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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.

Molecular Properties

Compound Name1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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
PubChem CID160764700
Molecular FormulaC228H254N46O19
Molecular Weight3942.84 g/mol
Exact Mass3940.03
IUPAC Name1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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
SMILESC=Cc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1.CC(=O)N1CCc2c(c(-c3c[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C)C1.CC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2C)C1.CC(=O)N1CCc2c(c(-c3cc(C)cc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cc(CO)cc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3ccc(C)c4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cn(C)c4ccccc34)nn2C)C1.CCC(=O)N1CCc2c(c(-c3ccc(C)c4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CCc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1.COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1
InChIInChI=1S/C28H32N6O2.C27H30N6O2.C24H28N4O2.C24H26N4O2.2C23H26N4O3.C23H26N4O2.C21H22N6O.C18H20N4O.C17H18N4O/c1-4-27(35)33-10-7-26-24(17-33)28(31-34(26)20-8-11-36-12-9-20)21-6-5-18(2)22-13-25(29-15-23(21)22)19-14-30-32(3)16-19;1-17-4-5-21(23-14-28-25(12-22(17)23)19-13-29-31(3)15-19)27-24-16-32(18(2)34)9-6-26(24)33(30-27)20-7-10-35-11-8-20;2*1-3-17-12-18-4-8-25-14-21(18)20(13-17)24-22-15-27(16(2)29)9-5-23(22)28(26-24)19-6-10-30-11-7-19;1-15(28)26-8-4-22-21(14-26)23(25-27(22)17-5-9-30-10-6-17)19-12-18(29-2)11-16-3-7-24-13-20(16)19;1-15(29)26-7-3-22-21(13-26)23(25-27(22)18-4-8-30-9-5-18)19-11-16(14-28)10-17-2-6-24-12-20(17)19;1-15-11-17-3-7-24-13-20(17)19(12-15)23-21-14-26(16(2)28)8-4-22(21)27(25-23)18-5-9-29-10-6-18;1-13(28)27-7-6-20-18(12-27)21(24-26(20)3)17-10-22-19-8-14(4-5-16(17)19)15-9-23-25(2)11-15;1-12(23)22-9-8-17-15(11-22)18(19-21(17)3)14-10-20(2)16-7-5-4-6-13(14)16;1-11(22)21-8-7-16-14(10-21)17(19-20(16)2)13-9-18-15-6-4-3-5-12(13)15/h5-6,13-16,20H,4,7-12,17H2,1-3H3;4-5,12-15,20H,6-11,16H2,1-3H3;4,8,12-14,19H,3,5-7,9-11,15H2,1-2H3;3-4,8,12-14,19H,1,5-7,9-11,15H2,2H3;3,7,11-13,17H,4-6,8-10,14H2,1-2H3;2,6,10-12,18,28H,3-5,7-9,13-14H2,1H3;3,7,11-13,18H,4-6,8-10,14H2,1-2H3;4-5,8-11,22H,6-7,12H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;3-6,9,18H,7-8,10H2,1-2H3
InChIKeyRYNJKWHRFWBBSP-UHFFFAOYSA-N
XLogP34.13
TPSA655.57 Ų
H-Bond Donors3
H-Bond Acceptors53
Rotatable Bonds25
Heavy Atoms293
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003942.84
LogP ≤ 534.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1053

Analyze 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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 with MolForge

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What is the IUPAC name of 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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?
The IUPAC name of 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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 (CID 160764700) is 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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.
What is the SMILES notation for 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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?
The canonical SMILES for 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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 is C=Cc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1.CC(=O)N1CCc2c(c(-c3c[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C)C1.CC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2C)C1.CC(=O)N1CCc2c(c(-c3cc(C)cc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cc(CO)cc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3ccc(C)c4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cn(C)c4ccccc34)nn2C)C1.CCC(=O)N1CCc2c(c(-c3ccc(C)c4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CCc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1.COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1.
What is the InChIKey of 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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?
The InChIKey is RYNJKWHRFWBBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2.C27H30N6O2.C24H28N4O2.C24H26N4O2.2C23H26N4O3.C23H26N4O2.C21H22N6O.C18H20N4O.C17H18N4O/c1-4-27(35)33-10-7-26-24(17-33)28(31-34(26)20-8-11-36-12-9-20)21-6-5-18(2)22-13-25(29-15-23(21)22)19-14-30-32(3)16-19;1-17-4-5-21(23-14-28-25(12-22(17)23)19-13-29-31(3)15-19)27-24-16-32(18(2)34)9-6-26(24)33(30-27)20-7-10-35-11-8-20;2*1-3-17-12-18-4-8-25-14-21(18)20(13-17)24-22-15-27(16(2)29)9-5-23(22)28(26-24)19-6-10-30-11-7-19;1-15(28)26-8-4-22-21(14-26)23(25-27(22)17-5-9-30-10-6-17)19-12-18(29-2)11-16-3-7-24-13-20(16)19;1-15(29)26-7-3-22-21(13-26)23(25-27(22)18-4-8-30-9-5-18)19-11-16(14-28)10-17-2-6-24-12-20(17)19;1-15-11-17-3-7-24-13-20(17)19(12-15)23-21-14-26(16(2)28)8-4-22(21)27(25-23)18-5-9-29-10-6-18;1-13(28)27-7-6-20-18(12-27)21(24-26(20)3)17-10-22-19-8-14(4-5-16(17)19)15-9-23-25(2)11-15;1-12(23)22-9-8-17-15(11-22)18(19-21(17)3)14-10-20(2)16-7-5-4-6-13(14)16;1-11(22)21-8-7-16-14(10-21)17(19-20(16)2)13-9-18-15-6-4-3-5-12(13)15/h5-6,13-16,20H,4,7-12,17H2,1-3H3;4-5,12-15,20H,6-11,16H2,1-3H3;4,8,12-14,19H,3,5-7,9-11,15H2,1-2H3;3-4,8,12-14,19H,1,5-7,9-11,15H2,2H3;3,7,11-13,17H,4-6,8-10,14H2,1-2H3;2,6,10-12,18,28H,3-5,7-9,13-14H2,1H3;3,7,11-13,18H,4-6,8-10,14H2,1-2H3;4-5,8-11,22H,6-7,12H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;3-6,9,18H,7-8,10H2,1-2H3.
What are the key properties of 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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 has a molecular weight of 3942.84 g/mol, XLogP of 34.13, 25 rotatable bonds, 3 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-methyl-3-(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-[5-methyl-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 is sourced from PubChem (CID 160764700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).