1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone

C184H214N34O10S — CID 158369285

IUPAC1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESCC(C)CN1CCCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)C1.CC(C)CN1CCC[C@@H](C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)C1.CN1CCC(N2CCC(C(=O)Cc3cc4cc(-c5cn[nH]c5)ccc4cn3)CC2)CC1.CN1CCN(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(S(=O)(=O)c5ccccc5)CC4)cc3c2)cn1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCCCC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCN(C2CCCCC2)CC1.[2H]C([2H])([2H])n1cc(-c2ccc3cnc(CC(=O)N4CCN(CC(C)C)CC4)cc3c2)cn1
InChIInChI=1S/C26H26N4O3S.C25H31N5O.C25H30N4O.C23H29N5O.2C23H28N4O.C20H21N3O.C19H21N5O/c1-29-18-23(17-28-29)20-7-8-21-16-27-24(14-22(21)13-20)15-26(31)19-9-11-30(12-10-19)34(32,33)25-5-3-2-4-6-25;1-29-8-6-24(7-9-29)30-10-4-18(5-11-30)25(31)14-23-13-21-12-19(22-16-27-28-17-22)2-3-20(21)15-26-23;30-25(18-8-10-29(11-9-18)24-4-2-1-3-5-24)14-23-13-21-12-19(22-16-27-28-17-22)6-7-20(21)15-26-23;1-17(2)15-27-6-8-28(9-7-27)23(29)12-22-11-20-10-18(4-5-19(20)13-24-22)21-14-25-26(3)16-21;2*1-16(2)14-27-7-3-4-19(15-27)23(28)10-22-9-20-8-17(21-12-25-26-13-21)5-6-18(20)11-24-22;24-20(14-4-2-1-3-5-14)10-19-9-17-8-15(18-12-22-23-13-18)6-7-16(17)11-21-19;1-23-4-6-24(7-5-23)19(25)10-18-9-16-8-14(17-12-21-22-13-17)2-3-15(16)11-20-18/h2-8,13-14,16-19H,9-12,15H2,1H3;2-3,12-13,15-18,24H,4-11,14H2,1H3,(H,27,28);6-7,12-13,15-18,24H,1-5,8-11,14H2,(H,27,28);4-5,10-11,13-14,16-17H,6-9,12,15H2,1-3H3;2*5-6,8-9,11-13,16,19H,3-4,7,10,14-15H2,1-2H3,(H,25,26);6-9,11-14H,1-5,10H2,(H,22,23);2-3,8-9,11-13H,4-7,10H2,1H3,(H,21,22)/t;;;;19-;;;/m....1.../s1/i;;;3D3;;;;
InChIKeyGUKLKAWTHXKLMU-WGNJKMTRSA-N
MW3097.05 g/mol
LogP29.62
Rot. Bonds41

About 1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone

1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone (PubChem CID 158369285) has the molecular formula C184H214N34O10S and a molecular weight of 3097.05 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
PubChem CID158369285
Molecular FormulaC184H214N34O10S
Molecular Weight3097.05 g/mol
Exact Mass3094.72
IUPAC Name1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESCC(C)CN1CCCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)C1.CC(C)CN1CCC[C@@H](C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)C1.CN1CCC(N2CCC(C(=O)Cc3cc4cc(-c5cn[nH]c5)ccc4cn3)CC2)CC1.CN1CCN(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(S(=O)(=O)c5ccccc5)CC4)cc3c2)cn1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCCCC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCN(C2CCCCC2)CC1.[2H]C([2H])([2H])n1cc(-c2ccc3cnc(CC(=O)N4CCN(CC(C)C)CC4)cc3c2)cn1
InChIInChI=1S/C26H26N4O3S.C25H31N5O.C25H30N4O.C23H29N5O.2C23H28N4O.C20H21N3O.C19H21N5O/c1-29-18-23(17-28-29)20-7-8-21-16-27-24(14-22(21)13-20)15-26(31)19-9-11-30(12-10-19)34(32,33)25-5-3-2-4-6-25;1-29-8-6-24(7-9-29)30-10-4-18(5-11-30)25(31)14-23-13-21-12-19(22-16-27-28-17-22)2-3-20(21)15-26-23;30-25(18-8-10-29(11-9-18)24-4-2-1-3-5-24)14-23-13-21-12-19(22-16-27-28-17-22)6-7-20(21)15-26-23;1-17(2)15-27-6-8-28(9-7-27)23(29)12-22-11-20-10-18(4-5-19(20)13-24-22)21-14-25-26(3)16-21;2*1-16(2)14-27-7-3-4-19(15-27)23(28)10-22-9-20-8-17(21-12-25-26-13-21)5-6-18(20)11-24-22;24-20(14-4-2-1-3-5-14)10-19-9-17-8-15(18-12-22-23-13-18)6-7-16(17)11-21-19;1-23-4-6-24(7-5-23)19(25)10-18-9-16-8-14(17-12-21-22-13-17)2-3-15(16)11-20-18/h2-8,13-14,16-19H,9-12,15H2,1H3;2-3,12-13,15-18,24H,4-11,14H2,1H3,(H,27,28);6-7,12-13,15-18,24H,1-5,8-11,14H2,(H,27,28);4-5,10-11,13-14,16-17H,6-9,12,15H2,1-3H3;2*5-6,8-9,11-13,16,19H,3-4,7,10,14-15H2,1-2H3,(H,25,26);6-9,11-14H,1-5,10H2,(H,22,23);2-3,8-9,11-13H,4-7,10H2,1H3,(H,21,22)/t;;;;19-;;;/m....1.../s1/i;;;3D3;;;;
InChIKeyGUKLKAWTHXKLMU-WGNJKMTRSA-N
XLogP29.62
TPSA513.94 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds41
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003097.05
LogP ≤ 529.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone with MolForge

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Related Compounds

1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[(2S)-piperidin-2-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-propyl-2-azaspiro[3.3]heptan-6-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[(2R)-pyrrolidin-2-yl]ethanone
CID 157540774
2-phenyl-1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]piperidin-1-yl]ethanone;3-phenyl-1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]piperidin-1-yl]-2-pyridin-2-ylethanone;1-[3-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 158572085
2-[6-[1-(1-Methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone;1-(1-piperidin-4-ylpyrazol-4-yl)-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 158638494
1-(1-Cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
CID 158976494
1-Cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 159558576
1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 159915764
2-[6-(1-Cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone;1-(1-ethyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(7-propyl-7-azaspiro[3.5]nonan-2-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
CID 160075572
1-[1-(1-Ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone;1-(1-piperidin-4-ylpyrazol-4-yl)-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 160165040
1-[1-(2,2-Dimethylpropyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrrolidin-3-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpyrrolidin-3-yl)ethanone)
CID 160302018
1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 160415228
1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone)
CID 160939841
1-[1-(2,2-Dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone)
CID 161371454

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone (CID 158369285) is 1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone is CC(C)CN1CCCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)C1.CC(C)CN1CCC[C@@H](C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)C1.CN1CCC(N2CCC(C(=O)Cc3cc4cc(-c5cn[nH]c5)ccc4cn3)CC2)CC1.CN1CCN(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(S(=O)(=O)c5ccccc5)CC4)cc3c2)cn1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCCCC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCN(C2CCCCC2)CC1.[2H]C([2H])([2H])n1cc(-c2ccc3cnc(CC(=O)N4CCN(CC(C)C)CC4)cc3c2)cn1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone?
The InChIKey is GUKLKAWTHXKLMU-WGNJKMTRSA-N. The full InChI is InChI=1S/C26H26N4O3S.C25H31N5O.C25H30N4O.C23H29N5O.2C23H28N4O.C20H21N3O.C19H21N5O/c1-29-18-23(17-28-29)20-7-8-21-16-27-24(14-22(21)13-20)15-26(31)19-9-11-30(12-10-19)34(32,33)25-5-3-2-4-6-25;1-29-8-6-24(7-9-29)30-10-4-18(5-11-30)25(31)14-23-13-21-12-19(22-16-27-28-17-22)2-3-20(21)15-26-23;30-25(18-8-10-29(11-9-18)24-4-2-1-3-5-24)14-23-13-21-12-19(22-16-27-28-17-22)6-7-20(21)15-26-23;1-17(2)15-27-6-8-28(9-7-27)23(29)12-22-11-20-10-18(4-5-19(20)13-24-22)21-14-25-26(3)16-21;2*1-16(2)14-27-7-3-4-19(15-27)23(28)10-22-9-20-8-17(21-12-25-26-13-21)5-6-18(20)11-24-22;24-20(14-4-2-1-3-5-14)10-19-9-17-8-15(18-12-22-23-13-18)6-7-16(17)11-21-19;1-23-4-6-24(7-5-23)19(25)10-18-9-16-8-14(17-12-21-22-13-17)2-3-15(16)11-20-18/h2-8,13-14,16-19H,9-12,15H2,1H3;2-3,12-13,15-18,24H,4-11,14H2,1H3,(H,27,28);6-7,12-13,15-18,24H,1-5,8-11,14H2,(H,27,28);4-5,10-11,13-14,16-17H,6-9,12,15H2,1-3H3;2*5-6,8-9,11-13,16,19H,3-4,7,10,14-15H2,1-2H3,(H,25,26);6-9,11-14H,1-5,10H2,(H,22,23);2-3,8-9,11-13H,4-7,10H2,1H3,(H,21,22)/t;;;;19-;;;/m....1.../s1/i;;;3D3;;;;.
What are the key properties of 1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone?
1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone has a molecular weight of 3097.05 g/mol, XLogP of 29.62, 41 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 158369285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).