4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C120H134F3N23O12S5 — CID 157464276

IUPAC4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCCN(CC)CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1.CNS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NC(=O)CO)c3)cc3ccncc23)CC1.Cc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CCN4CCCC4)CC3)c3cnccc3c2)ccc1F
InChIInChI=1S/C27H30FN5O2S.C27H32FN5O2S.C23H26N4O4S.C22H22FN5O2S.C21H24N4O2S/c28-26-4-3-20(15-23(26)18-29)22-16-21-5-8-30-19-25(21)27(17-22)31-24-6-11-33(12-7-24)36(34,35)14-13-32-9-1-2-10-32;1-3-32(4-2)13-14-36(34,35)33-11-8-24(9-12-33)31-27-17-22(16-21-7-10-30-19-25(21)27)20-5-6-26(28)23(15-20)18-29;1-32(30,31)27-9-6-19(7-10-27)25-22-13-18(11-17-5-8-24-14-21(17)22)16-3-2-4-20(12-16)26-23(29)15-28;1-25-31(29,30)28-8-5-19(6-9-28)27-22-12-17(11-16-4-7-26-14-20(16)22)15-2-3-21(23)18(10-15)13-24;1-15-3-4-17(13-23-15)18-11-16-5-8-22-14-20(16)21(12-18)24-19-6-9-25(10-7-19)28(2,26)27/h3-5,8,15-17,19,24,31H,1-2,6-7,9-14H2;5-7,10,15-17,19,24,31H,3-4,8-9,11-14H2,1-2H3;2-5,8,11-14,19,25,28H,6-7,9-10,15H2,1H3,(H,26,29);2-4,7,10-12,14,19,25,27H,5-6,8-9H2,1H3;3-5,8,11-14,19,24H,6-7,9-10H2,1-2H3
InChIKeyBUHCXWNRIRSOBU-UHFFFAOYSA-N
MW2307.87 g/mol
LogP18.04
Rot. Bonds31

About 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 157464276) has the molecular formula C120H134F3N23O12S5 and a molecular weight of 2307.87 g/mol. Its IUPAC name is 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

Compound Name4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
PubChem CID157464276
Molecular FormulaC120H134F3N23O12S5
Molecular Weight2307.87 g/mol
Exact Mass2305.91
IUPAC Name4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCCN(CC)CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1.CNS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NC(=O)CO)c3)cc3ccncc23)CC1.Cc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CCN4CCCC4)CC3)c3cnccc3c2)ccc1F
InChIInChI=1S/C27H30FN5O2S.C27H32FN5O2S.C23H26N4O4S.C22H22FN5O2S.C21H24N4O2S/c28-26-4-3-20(15-23(26)18-29)22-16-21-5-8-30-19-25(21)27(17-22)31-24-6-11-33(12-7-24)36(34,35)14-13-32-9-1-2-10-32;1-3-32(4-2)13-14-36(34,35)33-11-8-24(9-12-33)31-27-17-22(16-21-7-10-30-19-25(21)27)20-5-6-26(28)23(15-20)18-29;1-32(30,31)27-9-6-19(7-10-27)25-22-13-18(11-17-5-8-24-14-21(17)22)16-3-2-4-20(12-16)26-23(29)15-28;1-25-31(29,30)28-8-5-19(6-9-28)27-22-12-17(11-16-4-7-26-14-20(16)22)15-2-3-21(23)18(10-15)13-24;1-15-3-4-17(13-23-15)18-11-16-5-8-22-14-20(16)21(12-18)24-19-6-9-25(10-7-19)28(2,26)27/h3-5,8,15-17,19,24,31H,1-2,6-7,9-14H2;5-7,10,15-17,19,24,31H,3-4,8-9,11-14H2,1-2H3;2-5,8,11-14,19,25,28H,6-7,9-10,15H2,1H3,(H,26,29);2-4,7,10-12,14,19,25,27H,5-6,8-9H2,1H3;3-5,8,11-14,19,24H,6-7,9-10H2,1-2H3
InChIKeyBUHCXWNRIRSOBU-UHFFFAOYSA-N
XLogP18.04
TPSA463.60 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002307.87
LogP ≤ 518.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine with MolForge

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Related Compounds

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-[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
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
2-amino-5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;6-(3,4-difluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(4,6-dimethylpyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-fluoro-5-[8-[[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 157079334
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
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 157526495
4-[8-[(1-acetylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzonitrile;5-[8-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[(1-methylsulfonylpiperidin-3-yl)methylamino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[3-[8-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]propanenitrile;(E)-6-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]hex-4-enenitrile;prop-1-ene
CID 157787202
4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 158043512

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The IUPAC name of 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 157464276) is 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.
What is the SMILES notation for 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The canonical SMILES for 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is CCN(CC)CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1.CNS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NC(=O)CO)c3)cc3ccncc23)CC1.Cc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CCN4CCCC4)CC3)c3cnccc3c2)ccc1F.
What is the InChIKey of 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The InChIKey is BUHCXWNRIRSOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O2S.C27H32FN5O2S.C23H26N4O4S.C22H22FN5O2S.C21H24N4O2S/c28-26-4-3-20(15-23(26)18-29)22-16-21-5-8-30-19-25(21)27(17-22)31-24-6-11-33(12-7-24)36(34,35)14-13-32-9-1-2-10-32;1-3-32(4-2)13-14-36(34,35)33-11-8-24(9-12-33)31-27-17-22(16-21-7-10-30-19-25(21)27)20-5-6-26(28)23(15-20)18-29;1-32(30,31)27-9-6-19(7-10-27)25-22-13-18(11-17-5-8-24-14-21(17)22)16-3-2-4-20(12-16)26-23(29)15-28;1-25-31(29,30)28-8-5-19(6-9-28)27-22-12-17(11-16-4-7-26-14-20(16)22)15-2-3-21(23)18(10-15)13-24;1-15-3-4-17(13-23-15)18-11-16-5-8-22-14-20(16)21(12-18)24-19-6-9-25(10-7-19)28(2,26)27/h3-5,8,15-17,19,24,31H,1-2,6-7,9-14H2;5-7,10,15-17,19,24,31H,3-4,8-9,11-14H2,1-2H3;2-5,8,11-14,19,25,28H,6-7,9-10,15H2,1H3,(H,26,29);2-4,7,10-12,14,19,25,27H,5-6,8-9H2,1H3;3-5,8,11-14,19,24H,6-7,9-10H2,1-2H3.
What are the key properties of 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 2307.87 g/mol, XLogP of 18.04, 31 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;5-[8-[[1-[2-(diethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 157464276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).