2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile

C122H113ClF4N28O10S5 — CID 162213786

IUPAC2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
SMILESCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(Cl)c(C#N)c3)cc3ccncc23)CC1.Cn1cc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(C#N)c(F)c4)cc4ccncc34)CC2)cn1.Cn1cc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(F)c(C#N)c4)cc4ccncc34)CC2)cn1.Cn1cnc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(F)c(C#N)c4)cc4ccncc34)CC2)c1.Cn1nccc1S(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1
InChIInChI=1S/4C25H23FN6O2S.C22H21ClN4O2S/c1-31-25(5-9-29-31)35(33,34)32-10-6-21(7-11-32)30-24-14-19(13-18-4-8-28-16-22(18)24)17-2-3-23(26)20(12-17)15-27;1-31-16-22(14-29-31)35(33,34)32-8-5-21(6-9-32)30-25-12-20(10-18-4-7-28-15-23(18)25)17-2-3-19(13-27)24(26)11-17;1-31-15-25(29-16-31)35(33,34)32-8-5-21(6-9-32)30-24-12-19(11-18-4-7-28-14-22(18)24)17-2-3-23(26)20(10-17)13-27;1-31-16-22(14-29-31)35(33,34)32-8-5-21(6-9-32)30-25-12-19(11-18-4-7-28-15-23(18)25)17-2-3-24(26)20(10-17)13-27;1-30(28,29)27-8-5-19(6-9-27)26-22-12-17(11-16-4-7-25-14-20(16)22)15-2-3-21(23)18(10-15)13-24/h2-5,8-9,12-14,16,21,30H,6-7,10-11H2,1H3;3*2-4,7,10-12,14-16,21,30H,5-6,8-9H2,1H3;2-4,7,10-12,14,19,26H,5-6,8-9H2,1H3
InChIKeyZTEXXPGKCUXFNF-UHFFFAOYSA-N
MW2403.21 g/mol
LogP19.91
Rot. Bonds24

About 2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile

2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile (PubChem CID 162213786) has the molecular formula C122H113ClF4N28O10S5 and a molecular weight of 2403.21 g/mol. Its IUPAC name is 2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
PubChem CID162213786
Molecular FormulaC122H113ClF4N28O10S5
Molecular Weight2403.21 g/mol
Exact Mass2400.74
IUPAC Name2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
SMILESCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(Cl)c(C#N)c3)cc3ccncc23)CC1.Cn1cc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(C#N)c(F)c4)cc4ccncc34)CC2)cn1.Cn1cc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(F)c(C#N)c4)cc4ccncc34)CC2)cn1.Cn1cnc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(F)c(C#N)c4)cc4ccncc34)CC2)c1.Cn1nccc1S(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1
InChIInChI=1S/4C25H23FN6O2S.C22H21ClN4O2S/c1-31-25(5-9-29-31)35(33,34)32-10-6-21(7-11-32)30-24-14-19(13-18-4-8-28-16-22(18)24)17-2-3-23(26)20(12-17)15-27;1-31-16-22(14-29-31)35(33,34)32-8-5-21(6-9-32)30-25-12-20(10-18-4-7-28-15-23(18)25)17-2-3-19(13-27)24(26)11-17;1-31-15-25(29-16-31)35(33,34)32-8-5-21(6-9-32)30-24-12-19(11-18-4-7-28-14-22(18)24)17-2-3-23(26)20(10-17)13-27;1-31-16-22(14-29-31)35(33,34)32-8-5-21(6-9-32)30-25-12-19(11-18-4-7-28-15-23(18)25)17-2-3-24(26)20(10-17)13-27;1-30(28,29)27-8-5-19(6-9-27)26-22-12-17(11-16-4-7-25-14-20(16)22)15-2-3-21(23)18(10-15)13-24/h2-5,8-9,12-14,16,21,30H,6-7,10-11H2,1H3;3*2-4,7,10-12,14-16,21,30H,5-6,8-9H2,1H3;2-4,7,10-12,14,19,26H,5-6,8-9H2,1H3
InChIKeyZTEXXPGKCUXFNF-UHFFFAOYSA-N
XLogP19.91
TPSA501.73 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002403.21
LogP ≤ 519.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze 2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile with MolForge

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Related Compounds

6-[1-(3-chloro-2-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(6-chloro-2-pyridinyl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-4-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-5-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-6-methyl-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 158823630
6-[3-chloro-5-fluoro-6-methyl-1-(1,3,4-thiadiazol-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methylpyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyridazin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-4-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(1,3-thiazol-5-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 160757866
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;tetrakis(4-chloro-1-phenyl-2-propan-2-ylbenzene);5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;N-(4-chloro-2-propan-2-ylphenyl)pyrazin-2-amine;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;2-(4-chloro-2-propan-2-ylphenyl)pyridine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;4-(4-chloro-2-propan-2-ylphenyl)pyridine;N-(4-chloro-2-propan-2-ylphenyl)pyrimidin-2-amine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane;methanesulfonamide
CID 161696379
3-[8-[(1-Acetylpiperidin-4-yl)amino]isoquinolin-6-yl]-5-fluorobenzonitrile;2-fluoro-4-[8-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
CID 157086724
5-[8-[[1-(1-Amino-3-methyliminoprop-1-en-2-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;2-chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 157524370
3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;2-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrazole-3-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 157651331
2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[(E)-2-[3-[1-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]ethenyl]-4-pyridinyl]ethenyl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 157791981
3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 158027551
2-Chloro-5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 161240563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The IUPAC name of 2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile (CID 162213786) is 2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile.
What is the SMILES notation for 2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The canonical SMILES for 2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile is CS(=O)(=O)N1CCC(Nc2cc(-c3ccc(Cl)c(C#N)c3)cc3ccncc23)CC1.Cn1cc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(C#N)c(F)c4)cc4ccncc34)CC2)cn1.Cn1cc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(F)c(C#N)c4)cc4ccncc34)CC2)cn1.Cn1cnc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(F)c(C#N)c4)cc4ccncc34)CC2)c1.Cn1nccc1S(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1.
What is the InChIKey of 2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The InChIKey is ZTEXXPGKCUXFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C25H23FN6O2S.C22H21ClN4O2S/c1-31-25(5-9-29-31)35(33,34)32-10-6-21(7-11-32)30-24-14-19(13-18-4-8-28-16-22(18)24)17-2-3-23(26)20(12-17)15-27;1-31-16-22(14-29-31)35(33,34)32-8-5-21(6-9-32)30-25-12-20(10-18-4-7-28-15-23(18)25)17-2-3-19(13-27)24(26)11-17;1-31-15-25(29-16-31)35(33,34)32-8-5-21(6-9-32)30-24-12-19(11-18-4-7-28-14-22(18)24)17-2-3-23(26)20(10-17)13-27;1-31-16-22(14-29-31)35(33,34)32-8-5-21(6-9-32)30-25-12-19(11-18-4-7-28-15-23(18)25)17-2-3-24(26)20(10-17)13-27;1-30(28,29)27-8-5-19(6-9-27)26-22-12-17(11-16-4-7-25-14-20(16)22)15-2-3-21(23)18(10-15)13-24/h2-5,8-9,12-14,16,21,30H,6-7,10-11H2,1H3;3*2-4,7,10-12,14-16,21,30H,5-6,8-9H2,1H3;2-4,7,10-12,14,19,26H,5-6,8-9H2,1H3.
What are the key properties of 2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile has a molecular weight of 2403.21 g/mol, XLogP of 19.91, 24 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-4-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile is sourced from PubChem (CID 162213786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).