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

C183H213N35O10S — CID 159915764

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-(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
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)C1CCN(C2CCCCC2)CC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CCCNC1.[2H]C([2H])([2H])n1cc(-c2ccc3cnc(CC(=O)N4CCN(CC(C)C)CC4)cc3c2)cn1
InChIInChI=1S/C26H26N4O3S.C25H31N5O.C25H30N4O.C23H29N5O.2C23H28N4O.C19H21N5O.C19H20N4O/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;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;24-19(15-2-1-5-20-9-15)8-18-7-16-6-13(17-11-22-23-12-17)3-4-14(16)10-21-18/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);2-3,8-9,11-13H,4-7,10H2,1H3,(H,21,22);3-4,6-7,10-12,15,20H,1-2,5,8-9H2,(H,22,23)/t;;;;19-;;;15-/m....1..0/s1/i;;;3D3;;;;
InChIKeyNXTITQGXLRLLLW-NOFIGGTOSA-N
MW3098.04 g/mol
LogP28.04
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-(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

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 (PubChem CID 159915764) has the molecular formula C183H213N35O10S and a molecular weight of 3098.04 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-(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.

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-(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
PubChem CID159915764
Molecular FormulaC183H213N35O10S
Molecular Weight3098.04 g/mol
Exact Mass3095.71
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-(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
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)C1CCN(C2CCCCC2)CC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CCCNC1.[2H]C([2H])([2H])n1cc(-c2ccc3cnc(CC(=O)N4CCN(CC(C)C)CC4)cc3c2)cn1
InChIInChI=1S/C26H26N4O3S.C25H31N5O.C25H30N4O.C23H29N5O.2C23H28N4O.C19H21N5O.C19H20N4O/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;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;24-19(15-2-1-5-20-9-15)8-18-7-16-6-13(17-11-22-23-12-17)3-4-14(16)10-21-18/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);2-3,8-9,11-13H,4-7,10H2,1H3,(H,21,22);3-4,6-7,10-12,15,20H,1-2,5,8-9H2,(H,22,23)/t;;;;19-;;;15-/m....1..0/s1/i;;;3D3;;;;
InChIKeyNXTITQGXLRLLLW-NOFIGGTOSA-N
XLogP28.04
TPSA525.97 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds41
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003098.04
LogP ≤ 528.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

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-(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 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
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
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
CID 159139662
CID 159139662
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-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
2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-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-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
CID 161590523
1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2,2-dimethylpropyl)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 161745869
bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-propyl-2-azaspiro[3.3]heptan-6-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 161994821

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-(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?
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-(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) 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-(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.
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-(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?
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-(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 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)C1CCN(C2CCCCC2)CC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CCCNC1.[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-(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?
The InChIKey is NXTITQGXLRLLLW-NOFIGGTOSA-N. The full InChI is InChI=1S/C26H26N4O3S.C25H31N5O.C25H30N4O.C23H29N5O.2C23H28N4O.C19H21N5O.C19H20N4O/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;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;24-19(15-2-1-5-20-9-15)8-18-7-16-6-13(17-11-22-23-12-17)3-4-14(16)10-21-18/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);2-3,8-9,11-13H,4-7,10H2,1H3,(H,21,22);3-4,6-7,10-12,15,20H,1-2,5,8-9H2,(H,22,23)/t;;;;19-;;;15-/m....1..0/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-(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?
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 has a molecular weight of 3098.04 g/mol, XLogP of 28.04, 41 rotatable bonds, 7 hydrogen bond donors, and 36 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-(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 is sourced from PubChem (CID 159915764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).