4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile

C121H130FN19O12S4 — CID 158470449

IUPAC4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C#N)c(C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(CCC#N)cc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(OC)c(OC)c3)cc3ccncc23)CC1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)ccc1C#N.N#Cc1cc(-c2cc(NC3CCN(C(=O)CO)CC3)c3cnccc3c2)ccc1F
InChIInChI=1S/C25H26N4O2S.C25H28N4O2S.C24H26N4O2S.C24H29N3O4S.C23H21FN4O2/c1-17-12-18(2-3-20(17)15-26)21-13-19-6-9-27-16-24(19)25(14-21)28-22-7-10-29(11-8-22)32(30,31)23-4-5-23;1-2-32(30,31)29-14-10-23(11-15-29)28-25-17-22(16-21-9-13-27-18-24(21)25)20-7-5-19(6-8-20)4-3-12-26;1-3-31(29,30)28-10-7-22(8-11-28)27-24-14-21(13-19-6-9-26-16-23(19)24)18-4-5-20(15-25)17(2)12-18;1-4-32(28,29)27-11-8-20(9-12-27)26-22-14-19(13-18-7-10-25-16-21(18)22)17-5-6-23(30-2)24(15-17)31-3;24-21-2-1-15(9-18(21)12-25)17-10-16-3-6-26-13-20(16)22(11-17)27-19-4-7-28(8-5-19)23(30)14-29/h2-3,6,9,12-14,16,22-23,28H,4-5,7-8,10-11H2,1H3;5-9,13,16-18,23,28H,2-4,10-11,14-15H2,1H3;4-6,9,12-14,16,22,27H,3,7-8,10-11H2,1-2H3;5-7,10,13-16,20,26H,4,8-9,11-12H2,1-3H3;1-3,6,9-11,13,19,27,29H,4-5,7-8,14H2
InChIKeyHGGZERBRMULSHG-UHFFFAOYSA-N
MW2189.76 g/mol
LogP20.80
Rot. Bonds28

About 4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile

4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile (PubChem CID 158470449) has the molecular formula C121H130FN19O12S4 and a molecular weight of 2189.76 g/mol. Its IUPAC name is 4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
PubChem CID158470449
Molecular FormulaC121H130FN19O12S4
Molecular Weight2189.76 g/mol
Exact Mass2187.90
IUPAC Name4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C#N)c(C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(CCC#N)cc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(OC)c(OC)c3)cc3ccncc23)CC1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)ccc1C#N.N#Cc1cc(-c2cc(NC3CCN(C(=O)CO)CC3)c3cnccc3c2)ccc1F
InChIInChI=1S/C25H26N4O2S.C25H28N4O2S.C24H26N4O2S.C24H29N3O4S.C23H21FN4O2/c1-17-12-18(2-3-20(17)15-26)21-13-19-6-9-27-16-24(19)25(14-21)28-22-7-10-29(11-8-22)32(30,31)23-4-5-23;1-2-32(30,31)29-14-10-23(11-15-29)28-25-17-22(16-21-9-13-27-18-24(21)25)20-7-5-19(6-8-20)4-3-12-26;1-3-31(29,30)28-10-7-22(8-11-28)27-24-14-21(13-19-6-9-26-16-23(19)24)18-4-5-20(15-25)17(2)12-18;1-4-32(28,29)27-11-8-20(9-12-27)26-22-14-19(13-18-7-10-25-16-21(18)22)17-5-6-23(30-2)24(15-17)31-3;24-21-2-1-15(9-18(21)12-25)17-10-16-3-6-26-13-20(16)22(11-17)27-19-4-7-28(8-5-19)23(30)14-29/h2-3,6,9,12-14,16,22-23,28H,4-5,7-8,10-11H2,1H3;5-9,13,16-18,23,28H,2-4,10-11,14-15H2,1H3;4-6,9,12-14,16,22,27H,3,7-8,10-11H2,1-2H3;5-7,10,13-16,20,26H,4,8-9,11-12H2,1-3H3;1-3,6,9-11,13,19,27,29H,4-5,7-8,14H2
InChIKeyHGGZERBRMULSHG-UHFFFAOYSA-N
XLogP20.80
TPSA428.28 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002189.76
LogP ≤ 520.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile with MolForge

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Related Compounds

4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-(trifluoromethyl)benzonitrile
CID 158590903
4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;N-[3-[[6-(3,4-dimethoxyphenyl)isoquinolin-8-yl]amino]propyl]-N-ethylethanesulfonamide;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-(trifluoromethyl)benzonitrile
CID 158739888
N-[4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]cyclohexyl]methanesulfonamide;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-fluoro-5-methoxyphenyl)isoquinolin-8-amine;2-fluoro-5-[8-[(1-propylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
CID 159447389
5-[8-[[1-(3-Cyanopropylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-5-methoxybenzonitrile;3-fluoro-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-5-(trifluoromethyl)benzonitrile
CID 160125319
CID 143968089
CID 143968089
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(4-fluorophenyl)isoquinolin-8-amine;(Z,2E)-2-ethylidene-3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pent-3-enenitrile;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-fluoro-4-methoxyphenyl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;2-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
CID 157223912
4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 157394013
2-chloro-5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-4-fluorobenzonitrile;4-fluoro-3-[(E)-2-[3-[1-[(1-methylsulfonylpiperidin-4-yl)amino]ethenyl]-4-pyridinyl]ethenyl]benzonitrile;2-methoxy-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
CID 157455807
2-chloro-5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-4-fluorobenzonitrile;4-fluoro-3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-methoxy-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
CID 157468826
2-amino-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;(E,2E)-2-[2-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]ethylidene]-4-fluoropent-3-enenitrile;3-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]propanenitrile;3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-5-fluorobenzonitrile;3-[8-[[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 157789863
4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N,N-dimethylpiperidine-1-sulfonamide;5-[8-[[1-[3-(dimethylamino)propylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(4-methylpiperazin-1-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;6-(2-fluoro-5-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methoxy-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
CID 157829821
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(4-fluorophenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-fluoro-4-methoxyphenyl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;2-methyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
CID 158375281

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The IUPAC name of 4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile (CID 158470449) is 4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile.
What is the SMILES notation for 4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The canonical SMILES for 4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile is CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C#N)c(C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(CCC#N)cc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(OC)c(OC)c3)cc3ccncc23)CC1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)ccc1C#N.N#Cc1cc(-c2cc(NC3CCN(C(=O)CO)CC3)c3cnccc3c2)ccc1F.
What is the InChIKey of 4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The InChIKey is HGGZERBRMULSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S.C25H28N4O2S.C24H26N4O2S.C24H29N3O4S.C23H21FN4O2/c1-17-12-18(2-3-20(17)15-26)21-13-19-6-9-27-16-24(19)25(14-21)28-22-7-10-29(11-8-22)32(30,31)23-4-5-23;1-2-32(30,31)29-14-10-23(11-15-29)28-25-17-22(16-21-9-13-27-18-24(21)25)20-7-5-19(6-8-20)4-3-12-26;1-3-31(29,30)28-10-7-22(8-11-28)27-24-14-21(13-19-6-9-26-16-23(19)24)18-4-5-20(15-25)17(2)12-18;1-4-32(28,29)27-11-8-20(9-12-27)26-22-14-19(13-18-7-10-25-16-21(18)22)17-5-6-23(30-2)24(15-17)31-3;24-21-2-1-15(9-18(21)12-25)17-10-16-3-6-26-13-20(16)22(11-17)27-19-4-7-28(8-5-19)23(30)14-29/h2-3,6,9,12-14,16,22-23,28H,4-5,7-8,10-11H2,1H3;5-9,13,16-18,23,28H,2-4,10-11,14-15H2,1H3;4-6,9,12-14,16,22,27H,3,7-8,10-11H2,1-2H3;5-7,10,13-16,20,26H,4,8-9,11-12H2,1-3H3;1-3,6,9-11,13,19,27,29H,4-5,7-8,14H2.
What are the key properties of 4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile has a molecular weight of 2189.76 g/mol, XLogP of 20.80, 28 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile is sourced from PubChem (CID 158470449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).