1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone

C315H331N61O27 — CID 157296407

IUPAC1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
SMILESCC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)C1.CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)C1.CN(C)CCNc1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)ccn1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)CC1.CN1CCC(Oc2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)c2)CC1.CN1CCC(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)cn2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)c2)CC1.CNC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cn1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC5CCCCC5)cc4)cc3c2)c1CO.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3c2)c1CO
InChIInChI=1S/C28H32N6O2.C28H30N4O3.C28H29N3O3.C27H29N5O2.C27H27N5O2.C27H29N5O2.2C26H28N6O2.C25H28N6O2.2C25H25N5O2.C23H21N5O3/c1-32(2)24-7-10-34(11-8-24)28-14-20(6-9-29-28)27(36)15-23-13-22-12-19(4-5-21(22)16-30-23)25-17-31-33(3)26(25)18-35;1-31-10-8-24(9-11-31)35-25-5-3-4-20(14-25)28(34)15-23-13-22-12-19(6-7-21(22)16-29-23)26-17-30-32(2)27(26)18-33;1-31-27(18-32)26(17-30-31)20-7-8-21-16-29-23(14-22(21)13-20)15-28(33)19-9-11-25(12-10-19)34-24-5-3-2-4-6-24;2*1-31-9-6-18(7-10-31)25-13-20(5-8-28-25)27(34)14-23-12-22-11-19(3-4-21(22)15-29-23)24-16-30-32(2)26(24)17-33;1-30-8-10-32(11-9-30)24-5-3-4-20(14-24)27(34)15-23-13-22-12-19(6-7-21(22)16-28-23)25-17-29-31(2)26(25)18-33;1-30(2)22-14-32(15-22)26-10-18(6-7-27-26)25(34)11-21-9-20-8-17(4-5-19(20)12-28-21)23-13-29-31(3)24(23)16-33;1-30-7-9-32(10-8-30)26-6-5-20(15-28-26)25(34)13-22-12-21-11-18(3-4-19(21)14-27-22)23-16-29-31(2)24(23)17-33;1-30(2)9-8-27-25-12-18(6-7-26-25)24(33)13-21-11-20-10-17(4-5-19(20)14-28-21)22-15-29-31(3)23(22)16-32;1-16-13-30(14-16)25-9-18(5-6-26-25)24(32)10-21-8-20-7-17(3-4-19(20)11-27-21)22-12-28-29(2)23(22)15-31;1-29-23(16-31)22(15-28-29)17-4-5-19-14-27-21(11-20(19)10-17)13-24(32)18-6-7-26-25(12-18)30-8-2-3-9-30;1-24-23(31)20-6-5-16(11-26-20)22(30)9-18-8-17-7-14(3-4-15(17)10-25-18)19-12-27-28(2)21(19)13-29/h4-6,9,12-14,16-17,24,35H,7-8,10-11,15,18H2,1-3H3;3-7,12-14,16-17,24,33H,8-11,15,18H2,1-2H3;7-14,16-17,24,32H,2-6,15,18H2,1H3;3-5,8,11-13,15-16,18,33H,6-7,9-10,14,17H2,1-2H3;3-6,8,11-13,15-16,33H,7,9-10,14,17H2,1-2H3;3-7,12-14,16-17,33H,8-11,15,18H2,1-2H3;4-10,12-13,22,33H,11,14-16H2,1-3H3;3-6,11-12,14-16,33H,7-10,13,17H2,1-2H3;4-7,10-12,14-15,32H,8-9,13,16H2,1-3H3,(H,26,27);3-9,11-12,16,31H,10,13-15H2,1-2H3;4-7,10-12,14-15,31H,2-3,8-9,13,16H2,1H3;3-8,10-12,29H,9,13H2,1-2H3,(H,24,31)
InChIKeyBBJZIMWMOFMPLC-UHFFFAOYSA-N
MW5403.51 g/mol
LogP41.08
Rot. Bonds79

About 1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone

1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone (PubChem CID 157296407) has the molecular formula C315H331N61O27 and a molecular weight of 5403.51 g/mol. Its IUPAC name is 1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
PubChem CID157296407
Molecular FormulaC315H331N61O27
Molecular Weight5403.51 g/mol
Exact Mass5399.64
IUPAC Name1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
SMILESCC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)C1.CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)C1.CN(C)CCNc1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)ccn1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)CC1.CN1CCC(Oc2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)c2)CC1.CN1CCC(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)cn2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)c2)CC1.CNC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cn1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC5CCCCC5)cc4)cc3c2)c1CO.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3c2)c1CO
InChIInChI=1S/C28H32N6O2.C28H30N4O3.C28H29N3O3.C27H29N5O2.C27H27N5O2.C27H29N5O2.2C26H28N6O2.C25H28N6O2.2C25H25N5O2.C23H21N5O3/c1-32(2)24-7-10-34(11-8-24)28-14-20(6-9-29-28)27(36)15-23-13-22-12-19(4-5-21(22)16-30-23)25-17-31-33(3)26(25)18-35;1-31-10-8-24(9-11-31)35-25-5-3-4-20(14-25)28(34)15-23-13-22-12-19(6-7-21(22)16-29-23)26-17-30-32(2)27(26)18-33;1-31-27(18-32)26(17-30-31)20-7-8-21-16-29-23(14-22(21)13-20)15-28(33)19-9-11-25(12-10-19)34-24-5-3-2-4-6-24;2*1-31-9-6-18(7-10-31)25-13-20(5-8-28-25)27(34)14-23-12-22-11-19(3-4-21(22)15-29-23)24-16-30-32(2)26(24)17-33;1-30-8-10-32(11-9-30)24-5-3-4-20(14-24)27(34)15-23-13-22-12-19(6-7-21(22)16-28-23)25-17-29-31(2)26(25)18-33;1-30(2)22-14-32(15-22)26-10-18(6-7-27-26)25(34)11-21-9-20-8-17(4-5-19(20)12-28-21)23-13-29-31(3)24(23)16-33;1-30-7-9-32(10-8-30)26-6-5-20(15-28-26)25(34)13-22-12-21-11-18(3-4-19(21)14-27-22)23-16-29-31(2)24(23)17-33;1-30(2)9-8-27-25-12-18(6-7-26-25)24(33)13-21-11-20-10-17(4-5-19(20)14-28-21)22-15-29-31(3)23(22)16-32;1-16-13-30(14-16)25-9-18(5-6-26-25)24(32)10-21-8-20-7-17(3-4-19(20)11-27-21)22-12-28-29(2)23(22)15-31;1-29-23(16-31)22(15-28-29)17-4-5-19-14-27-21(11-20(19)10-17)13-24(32)18-6-7-26-25(12-18)30-8-2-3-9-30;1-24-23(31)20-6-5-16(11-26-20)22(30)9-18-8-17-7-14(3-4-15(17)10-25-18)19-12-27-28(2)21(19)13-29/h4-6,9,12-14,16-17,24,35H,7-8,10-11,15,18H2,1-3H3;3-7,12-14,16-17,24,33H,8-11,15,18H2,1-2H3;7-14,16-17,24,32H,2-6,15,18H2,1H3;3-5,8,11-13,15-16,18,33H,6-7,9-10,14,17H2,1-2H3;3-6,8,11-13,15-16,33H,7,9-10,14,17H2,1-2H3;3-7,12-14,16-17,33H,8-11,15,18H2,1-2H3;4-10,12-13,22,33H,11,14-16H2,1-3H3;3-6,11-12,14-16,33H,7-10,13,17H2,1-2H3;4-7,10-12,14-15,32H,8-9,13,16H2,1-3H3,(H,26,27);3-9,11-12,16,31H,10,13-15H2,1-2H3;4-7,10-12,14-15,31H,2-3,8-9,13,16H2,1H3;3-8,10-12,29H,9,13H2,1-2H3,(H,24,31)
InChIKeyBBJZIMWMOFMPLC-UHFFFAOYSA-N
XLogP41.08
TPSA1037.08 Ų
H-Bond Donors14
H-Bond Acceptors87
Rotatable Bonds79
Heavy Atoms403
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005403.51
LogP ≤ 541.08
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1087

Analyze 1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
The IUPAC name of 1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone (CID 157296407) is 1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
The canonical SMILES for 1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone is CC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)C1.CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)C1.CN(C)CCNc1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)ccn1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)CC1.CN1CCC(Oc2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)c2)CC1.CN1CCC(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)cn2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)c2)CC1.CNC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cn1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC5CCCCC5)cc4)cc3c2)c1CO.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3c2)c1CO.
What is the InChIKey of 1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
The InChIKey is BBJZIMWMOFMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2.C28H30N4O3.C28H29N3O3.C27H29N5O2.C27H27N5O2.C27H29N5O2.2C26H28N6O2.C25H28N6O2.2C25H25N5O2.C23H21N5O3/c1-32(2)24-7-10-34(11-8-24)28-14-20(6-9-29-28)27(36)15-23-13-22-12-19(4-5-21(22)16-30-23)25-17-31-33(3)26(25)18-35;1-31-10-8-24(9-11-31)35-25-5-3-4-20(14-25)28(34)15-23-13-22-12-19(6-7-21(22)16-29-23)26-17-30-32(2)27(26)18-33;1-31-27(18-32)26(17-30-31)20-7-8-21-16-29-23(14-22(21)13-20)15-28(33)19-9-11-25(12-10-19)34-24-5-3-2-4-6-24;2*1-31-9-6-18(7-10-31)25-13-20(5-8-28-25)27(34)14-23-12-22-11-19(3-4-21(22)15-29-23)24-16-30-32(2)26(24)17-33;1-30-8-10-32(11-9-30)24-5-3-4-20(14-24)27(34)15-23-13-22-12-19(6-7-21(22)16-28-23)25-17-29-31(2)26(25)18-33;1-30(2)22-14-32(15-22)26-10-18(6-7-27-26)25(34)11-21-9-20-8-17(4-5-19(20)12-28-21)23-13-29-31(3)24(23)16-33;1-30-7-9-32(10-8-30)26-6-5-20(15-28-26)25(34)13-22-12-21-11-18(3-4-19(21)14-27-22)23-16-29-31(2)24(23)17-33;1-30(2)9-8-27-25-12-18(6-7-26-25)24(33)13-21-11-20-10-17(4-5-19(20)14-28-21)22-15-29-31(3)23(22)16-32;1-16-13-30(14-16)25-9-18(5-6-26-25)24(32)10-21-8-20-7-17(3-4-19(20)11-27-21)22-12-28-29(2)23(22)15-31;1-29-23(16-31)22(15-28-29)17-4-5-19-14-27-21(11-20(19)10-17)13-24(32)18-6-7-26-25(12-18)30-8-2-3-9-30;1-24-23(31)20-6-5-16(11-26-20)22(30)9-18-8-17-7-14(3-4-15(17)10-25-18)19-12-27-28(2)21(19)13-29/h4-6,9,12-14,16-17,24,35H,7-8,10-11,15,18H2,1-3H3;3-7,12-14,16-17,24,33H,8-11,15,18H2,1-2H3;7-14,16-17,24,32H,2-6,15,18H2,1H3;3-5,8,11-13,15-16,18,33H,6-7,9-10,14,17H2,1-2H3;3-6,8,11-13,15-16,33H,7,9-10,14,17H2,1-2H3;3-7,12-14,16-17,33H,8-11,15,18H2,1-2H3;4-10,12-13,22,33H,11,14-16H2,1-3H3;3-6,11-12,14-16,33H,7-10,13,17H2,1-2H3;4-7,10-12,14-15,32H,8-9,13,16H2,1-3H3,(H,26,27);3-9,11-12,16,31H,10,13-15H2,1-2H3;4-7,10-12,14-15,31H,2-3,8-9,13,16H2,1H3;3-8,10-12,29H,9,13H2,1-2H3,(H,24,31).
What are the key properties of 1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone has a molecular weight of 5403.51 g/mol, XLogP of 41.08, 79 rotatable bonds, 14 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyloxyphenyl)-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]ethanone;5-[2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone is sourced from PubChem (CID 157296407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).