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

C121H128F2N18O14S4 — CID 159923255

IUPAC3-[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
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(OC)c(C#N)c3)cc3ccncc23)CC1.COc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cc1C#N.COc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cc1OC.COc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1F.N#Cc1cc(F)cc(-c2cc(NC3CCN(C(=O)C4CC4)CC3)c3cnccc3c2)c1
InChIInChI=1S/C25H23FN4O.C25H26N4O3S.C25H29N3O4S.C24H26N4O3S.C22H24FN3O3S/c26-21-10-16(14-27)9-19(12-21)20-11-18-3-6-28-15-23(18)24(13-20)29-22-4-7-30(8-5-22)25(31)17-1-2-17;1-32-25-5-2-17(12-20(25)15-26)19-13-18-6-9-27-16-23(18)24(14-19)28-21-7-10-29(11-8-21)33(30,31)22-3-4-22;1-31-24-6-3-17(15-25(24)32-2)19-13-18-7-10-26-16-22(18)23(14-19)27-20-8-11-28(12-9-20)33(29,30)21-4-5-21;1-3-32(29,30)28-10-7-21(8-11-28)27-23-14-19(13-18-6-9-26-16-22(18)23)17-4-5-24(31-2)20(12-17)15-25;1-29-22-4-3-15(12-20(22)23)17-11-16-5-8-24-14-19(16)21(13-17)25-18-6-9-26(10-7-18)30(2,27)28/h3,6,9-13,15,17,22,29H,1-2,4-5,7-8H2;2,5-6,9,12-14,16,21-22,28H,3-4,7-8,10-11H2,1H3;3,6-7,10,13-16,20-21,27H,4-5,8-9,11-12H2,1-2H3;4-6,9,12-14,16,21,27H,3,7-8,10-11H2,1-2H3;3-5,8,11-14,18,25H,6-7,9-10H2,1-2H3
InChIKeyNYRLVRDXZHLHQR-UHFFFAOYSA-N
MW2224.73 g/mol
LogP21.06
Rot. Bonds28

About 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

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 (PubChem CID 159923255) has the molecular formula C121H128F2N18O14S4 and a molecular weight of 2224.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159923255
Molecular FormulaC121H128F2N18O14S4
Molecular Weight2224.73 g/mol
Exact Mass2222.87
IUPAC Name3-[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
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(OC)c(C#N)c3)cc3ccncc23)CC1.COc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cc1C#N.COc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cc1OC.COc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1F.N#Cc1cc(F)cc(-c2cc(NC3CCN(C(=O)C4CC4)CC3)c3cnccc3c2)c1
InChIInChI=1S/C25H23FN4O.C25H26N4O3S.C25H29N3O4S.C24H26N4O3S.C22H24FN3O3S/c26-21-10-16(14-27)9-19(12-21)20-11-18-3-6-28-15-23(18)24(13-20)29-22-4-7-30(8-5-22)25(31)17-1-2-17;1-32-25-5-2-17(12-20(25)15-26)19-13-18-6-9-27-16-23(18)24(14-19)28-21-7-10-29(11-8-21)33(30,31)22-3-4-22;1-31-24-6-3-17(15-25(24)32-2)19-13-18-7-10-26-16-22(18)23(14-19)27-20-8-11-28(12-9-20)33(29,30)21-4-5-21;1-3-32(29,30)28-10-7-21(8-11-28)27-23-14-19(13-18-6-9-26-16-22(18)23)17-4-5-24(31-2)20(12-17)15-25;1-29-22-4-3-15(12-20(22)23)17-11-16-5-8-24-14-19(16)21(13-17)25-18-6-9-26(10-7-18)30(2,27)28/h3,6,9-13,15,17,22,29H,1-2,4-5,7-8H2;2,5-6,9,12-14,16,21-22,28H,3-4,7-8,10-11H2,1H3;3,6-7,10,13-16,20-21,27H,4-5,8-9,11-12H2,1-2H3;4-6,9,12-14,16,21,27H,3,7-8,10-11H2,1-2H3;3-5,8,11-14,18,25H,6-7,9-10H2,1-2H3
InChIKeyNYRLVRDXZHLHQR-UHFFFAOYSA-N
XLogP21.06
TPSA411.95 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002224.73
LogP ≤ 521.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 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 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
5-[8-[[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluoro-4-methoxyphenyl)isoquinolin-8-amine;3-[8-(1-cyclopropylsulfonylpiperidin-4-yl)sulfanylisoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-[2-(2-fluoro-4-pyridinyl)acetyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-[2-(6-fluoro-2-pyridinyl)acetyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 157147204
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
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
5-[8-[(1-butylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzonitrile;5-[8-[[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[(3E,5E)-7-methoxyhepta-1,3,5-trien-4-yl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methoxymethyl)phenyl]isoquinolin-8-amine;6-(3-fluoro-4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 157514872
5-[8-[(1-butylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzonitrile;5-[8-[[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;bis(N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methoxymethyl)phenyl]isoquinolin-8-amine);6-(3-fluoro-4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 157727461
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(OC)c(C#N)c3)cc3ccncc23)CC1.COc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cc1C#N.COc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cc1OC.COc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1F.N#Cc1cc(F)cc(-c2cc(NC3CCN(C(=O)C4CC4)CC3)c3cnccc3c2)c1.
What is the InChIKey of 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?
The InChIKey is NYRLVRDXZHLHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O.C25H26N4O3S.C25H29N3O4S.C24H26N4O3S.C22H24FN3O3S/c26-21-10-16(14-27)9-19(12-21)20-11-18-3-6-28-15-23(18)24(13-20)29-22-4-7-30(8-5-22)25(31)17-1-2-17;1-32-25-5-2-17(12-20(25)15-26)19-13-18-6-9-27-16-23(18)24(14-19)28-21-7-10-29(11-8-21)33(30,31)22-3-4-22;1-31-24-6-3-17(15-25(24)32-2)19-13-18-7-10-26-16-22(18)23(14-19)27-20-8-11-28(12-9-20)33(29,30)21-4-5-21;1-3-32(29,30)28-10-7-21(8-11-28)27-23-14-19(13-18-6-9-26-16-22(18)23)17-4-5-24(31-2)20(12-17)15-25;1-29-22-4-3-15(12-20(22)23)17-11-16-5-8-24-14-19(16)21(13-17)25-18-6-9-26(10-7-18)30(2,27)28/h3,6,9-13,15,17,22,29H,1-2,4-5,7-8H2;2,5-6,9,12-14,16,21-22,28H,3-4,7-8,10-11H2,1H3;3,6-7,10,13-16,20-21,27H,4-5,8-9,11-12H2,1-2H3;4-6,9,12-14,16,21,27H,3,7-8,10-11H2,1-2H3;3-5,8,11-14,18,25H,6-7,9-10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2224.73 g/mol, XLogP of 21.06, 28 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159923255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).