2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile

C117H125ClFN17O13S4 — CID 159843999

IUPAC2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
SMILESCOCc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.COc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1OC.CS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)cc3)cc3ccncc23)CC1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)ccc1Cl.N#Cc1ccc(-c2cc(NC3CCN(C(=O)C4CCCO4)CC3)c3cnccc3c2)cc1
InChIInChI=1S/C26H26N4O2.C24H23ClN4O2S.C23H27N3O4S.C23H27N3O3S.C21H22FN3O2S/c27-16-18-3-5-19(6-4-18)21-14-20-7-10-28-17-23(20)24(15-21)29-22-8-11-30(12-9-22)26(31)25-2-1-13-32-25;25-23-4-1-16(11-19(23)14-26)18-12-17-5-8-27-15-22(17)24(13-18)28-20-6-9-29(10-7-20)32(30,31)21-2-3-21;1-29-22-5-4-16(14-23(22)30-2)18-12-17-6-9-24-15-20(17)21(13-18)25-19-7-10-26(11-8-19)31(3,27)28;1-29-16-17-4-3-5-18(12-17)20-13-19-6-9-24-15-22(19)23(14-20)25-21-7-10-26(11-8-21)30(2,27)28;1-28(26,27)25-10-7-19(8-11-25)24-21-13-17(15-2-4-18(22)5-3-15)12-16-6-9-23-14-20(16)21/h3-7,10,14-15,17,22,25,29H,1-2,8-9,11-13H2;1,4-5,8,11-13,15,20-21,28H,2-3,6-7,9-10H2;4-6,9,12-15,19,25H,7-8,10-11H2,1-3H3;3-6,9,12-15,21,25H,7-8,10-11,16H2,1-2H3;2-6,9,12-14,19,24H,7-8,10-11H2,1H3
InChIKeyNPBDCXITXNKHAS-UHFFFAOYSA-N
MW2160.11 g/mol
LogP20.67
Rot. Bonds25

About 2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile

2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile (PubChem CID 159843999) has the molecular formula C117H125ClFN17O13S4 and a molecular weight of 2160.11 g/mol. Its IUPAC name is 2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
PubChem CID159843999
Molecular FormulaC117H125ClFN17O13S4
Molecular Weight2160.11 g/mol
Exact Mass2157.82
IUPAC Name2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
SMILESCOCc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.COc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1OC.CS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)cc3)cc3ccncc23)CC1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)ccc1Cl.N#Cc1ccc(-c2cc(NC3CCN(C(=O)C4CCCO4)CC3)c3cnccc3c2)cc1
InChIInChI=1S/C26H26N4O2.C24H23ClN4O2S.C23H27N3O4S.C23H27N3O3S.C21H22FN3O2S/c27-16-18-3-5-19(6-4-18)21-14-20-7-10-28-17-23(20)24(15-21)29-22-8-11-30(12-9-22)26(31)25-2-1-13-32-25;25-23-4-1-16(11-19(23)14-26)18-12-17-5-8-27-15-22(17)24(13-18)28-20-6-9-29(10-7-20)32(30,31)21-2-3-21;1-29-22-5-4-16(14-23(22)30-2)18-12-17-6-9-24-15-20(17)21(13-18)25-19-7-10-26(11-8-19)31(3,27)28;1-29-16-17-4-3-5-18(12-17)20-13-19-6-9-24-15-22(19)23(14-20)25-21-7-10-26(11-8-21)30(2,27)28;1-28(26,27)25-10-7-19(8-11-25)24-21-13-17(15-2-4-18(22)5-3-15)12-16-6-9-23-14-20(16)21/h3-7,10,14-15,17,22,25,29H,1-2,8-9,11-13H2;1,4-5,8,11-13,15,20-21,28H,2-3,6-7,9-10H2;4-6,9,12-15,19,25H,7-8,10-11H2,1-3H3;3-6,9,12-15,21,25H,7-8,10-11,16H2,1-2H3;2-6,9,12-14,19,24H,7-8,10-11H2,1H3
InChIKeyNPBDCXITXNKHAS-UHFFFAOYSA-N
XLogP20.67
TPSA378.93 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002160.11
LogP ≤ 520.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)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
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
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
3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]-5-fluorobenzonitrile;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methoxybenzonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3,4-dimethoxyphenyl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methoxybenzonitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 158521287
6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-fluoro-5-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 158866420
2-chloro-5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-[4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]cyclohexyl]ethanesulfonamide;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;methanesulfinate;2-methoxy-5-[8-(piperidin-4-ylamino)isoquinolin-6-yl]benzonitrile
CID 159125186
3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]-5-fluorobenzonitrile;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methoxybenzonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3,4-dimethoxyphenyl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methoxybenzonitrile;6-(3-fluoro-4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 159923255
6-(3-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-fluoro-3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;2-methyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
CID 159925517
2-chloro-4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-chloro-4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-chloro-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(1,4-dioxane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-fluoro-5-methoxyphenyl)isoquinolin-8-amine
CID 160278458
3-Chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-chloro-5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;5-[8-[[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;5-[8-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;3-[8-[[1-(3-hydroxy-3-methylbutanoyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 161896190

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The IUPAC name of 2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile (CID 159843999) is 2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile.
What is the SMILES notation for 2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The canonical SMILES for 2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile is COCc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.COc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1OC.CS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)cc3)cc3ccncc23)CC1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)ccc1Cl.N#Cc1ccc(-c2cc(NC3CCN(C(=O)C4CCCO4)CC3)c3cnccc3c2)cc1.
What is the InChIKey of 2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The InChIKey is NPBDCXITXNKHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2.C24H23ClN4O2S.C23H27N3O4S.C23H27N3O3S.C21H22FN3O2S/c27-16-18-3-5-19(6-4-18)21-14-20-7-10-28-17-23(20)24(15-21)29-22-8-11-30(12-9-22)26(31)25-2-1-13-32-25;25-23-4-1-16(11-19(23)14-26)18-12-17-5-8-27-15-22(17)24(13-18)28-20-6-9-29(10-7-20)32(30,31)21-2-3-21;1-29-22-5-4-16(14-23(22)30-2)18-12-17-6-9-24-15-20(17)21(13-18)25-19-7-10-26(11-8-19)31(3,27)28;1-29-16-17-4-3-5-18(12-17)20-13-19-6-9-24-15-22(19)23(14-20)25-21-7-10-26(11-8-21)30(2,27)28;1-28(26,27)25-10-7-19(8-11-25)24-21-13-17(15-2-4-18(22)5-3-15)12-16-6-9-23-14-20(16)21/h3-7,10,14-15,17,22,25,29H,1-2,8-9,11-13H2;1,4-5,8,11-13,15,20-21,28H,2-3,6-7,9-10H2;4-6,9,12-15,19,25H,7-8,10-11H2,1-3H3;3-6,9,12-15,21,25H,7-8,10-11,16H2,1-2H3;2-6,9,12-14,19,24H,7-8,10-11H2,1H3.
What are the key properties of 2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile has a molecular weight of 2160.11 g/mol, XLogP of 20.67, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-(methoxymethyl)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[[1-(oxolane-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile is sourced from PubChem (CID 159843999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).