5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile

C118H121F3N22O12S5 — CID 159236637

IUPAC5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C#N)nc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C#N)c3)cc3ccncc23)CC1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CC4CCCO4)CC3)c3cnccc3c2)ccc1F.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CF)CC3)c3cnccc3c2)ccc1F.N#Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)CC4CCCO4)CC3)c3cnccc3c2)cc1
InChIInChI=1S/C26H27FN4O3S.C26H28N4O3S.C22H20F2N4O2S.2C22H23N5O2S/c27-25-4-3-18(12-21(25)15-28)20-13-19-5-8-29-16-24(19)26(14-20)30-22-6-9-31(10-7-22)35(32,33)17-23-2-1-11-34-23;27-16-19-3-5-20(6-4-19)22-14-21-7-10-28-17-25(21)26(15-22)29-23-8-11-30(12-9-23)34(31,32)18-24-2-1-13-33-24;23-14-31(29,30)28-7-4-19(5-8-28)27-22-11-17(10-16-3-6-26-13-20(16)22)15-1-2-21(24)18(9-15)12-25;1-2-30(28,29)27-7-4-20(5-8-27)26-22-11-18(10-17-3-6-24-15-21(17)22)19-9-16(12-23)13-25-14-19;1-2-30(28,29)27-9-6-19(7-10-27)26-22-12-18(11-16-5-8-24-15-21(16)22)17-3-4-20(13-23)25-14-17/h3-5,8,12-14,16,22-23,30H,1-2,6-7,9-11,17H2;3-7,10,14-15,17,23-24,29H,1-2,8-9,11-13,18H2;1-3,6,9-11,13,19,27H,4-5,7-8,14H2;3,6,9-11,13-15,20,26H,2,4-5,7-8H2,1H3;3-5,8,11-12,14-15,19,26H,2,6-7,9-10H2,1H3
InChIKeyKTODYLHSBBXBCP-UHFFFAOYSA-N
MW2256.74 g/mol
LogP19.29
Rot. Bonds27

About 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile

5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile (PubChem CID 159236637) has the molecular formula C118H121F3N22O12S5 and a molecular weight of 2256.74 g/mol. Its IUPAC name is 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile.

Molecular Properties

Compound Name5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
PubChem CID159236637
Molecular FormulaC118H121F3N22O12S5
Molecular Weight2256.74 g/mol
Exact Mass2254.81
IUPAC Name5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C#N)nc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C#N)c3)cc3ccncc23)CC1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CC4CCCO4)CC3)c3cnccc3c2)ccc1F.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CF)CC3)c3cnccc3c2)ccc1F.N#Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)CC4CCCO4)CC3)c3cnccc3c2)cc1
InChIInChI=1S/C26H27FN4O3S.C26H28N4O3S.C22H20F2N4O2S.2C22H23N5O2S/c27-25-4-3-18(12-21(25)15-28)20-13-19-5-8-29-16-24(19)26(14-20)30-22-6-9-31(10-7-22)35(32,33)17-23-2-1-11-34-23;27-16-19-3-5-20(6-4-19)22-14-21-7-10-28-17-25(21)26(15-22)29-23-8-11-30(12-9-23)34(31,32)18-24-2-1-13-33-24;23-14-31(29,30)28-7-4-19(5-8-28)27-22-11-17(10-16-3-6-26-13-20(16)22)15-1-2-21(24)18(9-15)12-25;1-2-30(28,29)27-7-4-20(5-8-27)26-22-11-18(10-17-3-6-24-15-21(17)22)19-9-16(12-23)13-25-14-19;1-2-30(28,29)27-9-6-19(7-10-27)26-22-12-18(11-16-5-8-24-15-21(16)22)17-3-4-20(13-23)25-14-17/h3-5,8,12-14,16,22-23,30H,1-2,6-7,9-11,17H2;3-7,10,14-15,17,23-24,29H,1-2,8-9,11-13,18H2;1-3,6,9-11,13,19,27H,4-5,7-8,14H2;3,6,9-11,13-15,20,26H,2,4-5,7-8H2,1H3;3-5,8,11-12,14-15,19,26H,2,6-7,9-10H2,1H3
InChIKeyKTODYLHSBBXBCP-UHFFFAOYSA-N
XLogP19.29
TPSA474.69 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002256.74
LogP ≤ 519.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile with MolForge

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Related Compounds

2-Fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59534825
6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine
CID 157243981
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine
CID 157253647
6-(5-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-fluoro-5-methyl-3-pyridinyl)-N-piperidin-4-ylisoquinolin-8-amine;2-fluoro-5-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;methanesulfinate;6-(5-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine
CID 160112907
5-[8-[[1-(3-cyanopropylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1H-indol-5-yl)isoquinolin-8-amine;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 160263680
N-(1-butylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine
CID 161297430
N-[4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]cyclohexyl]methanesulfonamide;N-[3-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;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 161809718
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine
CID 162077843
4-[8-[[1-(Oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59534870
5-[8-[[1-(Cyclobutylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-oxopropylsulfonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile
CID 157051040
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine
CID 157294221
6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(ethylamino)-3-methanimidoylphenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(ethylamino)-3-methanimidoylphenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 157422075

Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The IUPAC name of 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile (CID 159236637) is 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile.
What is the SMILES notation for 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The canonical SMILES for 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile is CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C#N)nc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C#N)c3)cc3ccncc23)CC1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CC4CCCO4)CC3)c3cnccc3c2)ccc1F.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CF)CC3)c3cnccc3c2)ccc1F.N#Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)CC4CCCO4)CC3)c3cnccc3c2)cc1.
What is the InChIKey of 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The InChIKey is KTODYLHSBBXBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3S.C26H28N4O3S.C22H20F2N4O2S.2C22H23N5O2S/c27-25-4-3-18(12-21(25)15-28)20-13-19-5-8-29-16-24(19)26(14-20)30-22-6-9-31(10-7-22)35(32,33)17-23-2-1-11-34-23;27-16-19-3-5-20(6-4-19)22-14-21-7-10-28-17-25(21)26(15-22)29-23-8-11-30(12-9-23)34(31,32)18-24-2-1-13-33-24;23-14-31(29,30)28-7-4-19(5-8-28)27-22-11-17(10-16-3-6-26-13-20(16)22)15-1-2-21(24)18(9-15)12-25;1-2-30(28,29)27-7-4-20(5-8-27)26-22-11-18(10-17-3-6-24-15-21(17)22)19-9-16(12-23)13-25-14-19;1-2-30(28,29)27-9-6-19(7-10-27)26-22-12-18(11-16-5-8-24-15-21(16)22)17-3-4-20(13-23)25-14-17/h3-5,8,12-14,16,22-23,30H,1-2,6-7,9-11,17H2;3-7,10,14-15,17,23-24,29H,1-2,8-9,11-13,18H2;1-3,6,9-11,13,19,27H,4-5,7-8,14H2;3,6,9-11,13-15,20,26H,2,4-5,7-8H2,1H3;3-5,8,11-12,14-15,19,26H,2,6-7,9-10H2,1H3.
What are the key properties of 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile has a molecular weight of 2256.74 g/mol, XLogP of 19.29, 27 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;2-fluoro-5-[8-[[1-(fluoromethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile is sourced from PubChem (CID 159236637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).