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

C121H117F5N24O10S4 — CID 157086724

IUPAC3-[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
SMILESCC(=O)N1CCC(Nc2cc(-c3cc(F)cc(C#N)c3)cc3ccncc23)CC1.CC(C)S(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1.COCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C#N)c(F)c3)cc3ccncc23)CC1.Cn1cc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(C#N)c(F)c4)cc4ccncc34)CC2)cn1.Cn1cnc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(C#N)c(F)c4)cc4ccncc34)CC2)c1
InChIInChI=1S/2C25H23FN6O2S.C24H25FN4O3S.C24H25FN4O2S.C23H21FN4O/c1-31-15-25(29-16-31)35(33,34)32-8-5-21(6-9-32)30-24-12-20(10-18-4-7-28-14-22(18)24)17-2-3-19(13-27)23(26)11-17;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;1-32-10-11-33(30,31)29-8-5-21(6-9-29)28-24-14-20(12-18-4-7-27-16-22(18)24)17-2-3-19(15-26)23(25)13-17;1-16(2)32(30,31)29-9-6-21(7-10-29)28-24-13-19(12-18-5-8-27-15-22(18)24)17-3-4-23(25)20(11-17)14-26;1-15(29)28-6-3-21(4-7-28)27-23-12-19(10-17-2-5-26-14-22(17)23)18-8-16(13-25)9-20(24)11-18/h2*2-4,7,10-12,14-16,21,30H,5-6,8-9H2,1H3;2-4,7,12-14,16,21,28H,5-6,8-11H2,1H3;3-5,8,11-13,15-16,21,28H,6-7,9-10H2,1-2H3;2,5,8-12,14,21,27H,3-4,6-7H2,1H3
InChIKeyAEEDTVNXUGFJEN-UHFFFAOYSA-N
MW2290.68 g/mol
LogP20.45
Rot. Bonds25

About 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

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 (PubChem CID 157086724) has the molecular formula C121H117F5N24O10S4 and a molecular weight of 2290.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID157086724
Molecular FormulaC121H117F5N24O10S4
Molecular Weight2290.68 g/mol
Exact Mass2288.82
IUPAC Name3-[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
SMILESCC(=O)N1CCC(Nc2cc(-c3cc(F)cc(C#N)c3)cc3ccncc23)CC1.CC(C)S(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1.COCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C#N)c(F)c3)cc3ccncc23)CC1.Cn1cc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(C#N)c(F)c4)cc4ccncc34)CC2)cn1.Cn1cnc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(C#N)c(F)c4)cc4ccncc34)CC2)c1
InChIInChI=1S/2C25H23FN6O2S.C24H25FN4O3S.C24H25FN4O2S.C23H21FN4O/c1-31-15-25(29-16-31)35(33,34)32-8-5-21(6-9-32)30-24-12-20(10-18-4-7-28-14-22(18)24)17-2-3-19(13-27)23(26)11-17;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;1-32-10-11-33(30,31)29-8-5-21(6-9-29)28-24-14-20(12-18-4-7-27-16-22(18)24)17-2-3-19(15-26)23(25)13-17;1-16(2)32(30,31)29-9-6-21(7-10-29)28-24-13-19(12-18-5-8-27-15-22(18)24)17-3-4-23(25)20(11-17)14-26;1-15(29)28-6-3-21(4-7-28)27-23-12-19(10-17-2-5-26-14-22(17)23)18-8-16(13-25)9-20(24)11-18/h2*2-4,7,10-12,14-16,21,30H,5-6,8-9H2,1H3;2-4,7,12-14,16,21,28H,5-6,8-11H2,1H3;3-5,8,11-13,15-16,21,28H,6-7,9-10H2,1-2H3;2,5,8-12,14,21,27H,3-4,6-7H2,1H3
InChIKeyAEEDTVNXUGFJEN-UHFFFAOYSA-N
XLogP20.45
TPSA458.25 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002290.68
LogP ≤ 520.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Related Compounds

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-[8-[(1-acetylpiperidin-4-yl)amino]isoquinolin-6-yl]-5-fluorobenzonitrile;N-[4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]cyclohexyl]ethanesulfonamide;N-[3-[[6-(4-cyano-3-fluorophenyl)isoquinolin-8-yl]amino]propyl]-N-ethyl-1-methylimidazole-4-sulfonamide;2-fluoro-4-[8-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[(E)-2-[3-[1-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]ethenyl]-4-pyridinyl]ethenyl]benzonitrile
CID 157551477
3-[8-[(1-Acetylpiperidin-4-yl)amino]isoquinolin-6-yl]-5-fluorobenzonitrile;5-[8-[[4-(ethylsulfonylmethyl)cyclohexyl]amino]isoquinolin-6-yl]-2-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-5-[8-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
CID 157708983
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
1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea
CID 159271883
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC(Nc2cc(-c3cc(F)cc(C#N)c3)cc3ccncc23)CC1.CC(C)S(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1.COCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C#N)c(F)c3)cc3ccncc23)CC1.Cn1cc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(C#N)c(F)c4)cc4ccncc34)CC2)cn1.Cn1cnc(S(=O)(=O)N2CCC(Nc3cc(-c4ccc(C#N)c(F)c4)cc4ccncc34)CC2)c1.
What is the InChIKey of 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?
The InChIKey is AEEDTVNXUGFJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23FN6O2S.C24H25FN4O3S.C24H25FN4O2S.C23H21FN4O/c1-31-15-25(29-16-31)35(33,34)32-8-5-21(6-9-32)30-24-12-20(10-18-4-7-28-14-22(18)24)17-2-3-19(13-27)23(26)11-17;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;1-32-10-11-33(30,31)29-8-5-21(6-9-29)28-24-14-20(12-18-4-7-27-16-22(18)24)17-2-3-19(15-26)23(25)13-17;1-16(2)32(30,31)29-9-6-21(7-10-29)28-24-13-19(12-18-5-8-27-15-22(18)24)17-3-4-23(25)20(11-17)14-26;1-15(29)28-6-3-21(4-7-28)27-23-12-19(10-17-2-5-26-14-22(17)23)18-8-16(13-25)9-20(24)11-18/h2*2-4,7,10-12,14-16,21,30H,5-6,8-9H2,1H3;2-4,7,12-14,16,21,28H,5-6,8-11H2,1H3;3-5,8,11-13,15-16,21,28H,6-7,9-10H2,1-2H3;2,5,8-12,14,21,27H,3-4,6-7H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2290.68 g/mol, XLogP of 20.45, 25 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157086724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).