N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine

C93H105F2N17O8S4 — CID 158092236

IUPACN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc4cnn(C)c4c3)cc3ccncc23)CC1.CCc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cn1.CCc1cncc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)c1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C(F)F)c3)cc3ccncc23)CC1
InChIInChI=1S/C24H27N5O2S.2C24H28N4O2S.C21H22F2N4O2S/c1-3-32(30,31)29-10-7-21(8-11-29)27-23-13-20(12-18-6-9-25-16-22(18)23)17-4-5-19-15-26-28(2)24(19)14-17;1-2-17-11-20(15-26-14-17)19-12-18-5-8-25-16-23(18)24(13-19)27-21-6-9-28(10-7-21)31(29,30)22-3-4-22;1-2-20-4-3-18(15-26-20)19-13-17-7-10-25-16-23(17)24(14-19)27-21-8-11-28(12-9-21)31(29,30)22-5-6-22;1-30(28,29)27-6-3-18(4-7-27)26-20-10-15(8-14-2-5-24-13-19(14)20)16-9-17(21(22)23)12-25-11-16/h4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3;5,8,11-16,21-22,27H,2-4,6-7,9-10H2,1H3;3-4,7,10,13-16,21-22,27H,2,5-6,8-9,11-12H2,1H3;2,5,8-13,18,21,26H,3-4,6-7H2,1H3
InChIKeyFOGAYXSJJRKWEC-UHFFFAOYSA-N
MW1755.24 g/mol
LogP16.54
Rot. Bonds22

About N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine

N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine (PubChem CID 158092236) has the molecular formula C93H105F2N17O8S4 and a molecular weight of 1755.24 g/mol. Its IUPAC name is N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine
PubChem CID158092236
Molecular FormulaC93H105F2N17O8S4
Molecular Weight1755.24 g/mol
Exact Mass1753.72
IUPAC NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc4cnn(C)c4c3)cc3ccncc23)CC1.CCc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cn1.CCc1cncc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)c1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C(F)F)c3)cc3ccncc23)CC1
InChIInChI=1S/C24H27N5O2S.2C24H28N4O2S.C21H22F2N4O2S/c1-3-32(30,31)29-10-7-21(8-11-29)27-23-13-20(12-18-6-9-25-16-22(18)23)17-4-5-19-15-26-28(2)24(19)14-17;1-2-17-11-20(15-26-14-17)19-12-18-5-8-25-16-23(18)24(13-19)27-21-6-9-28(10-7-21)31(29,30)22-3-4-22;1-2-20-4-3-18(15-26-20)19-13-17-7-10-25-16-23(17)24(14-19)27-21-8-11-28(12-9-21)31(29,30)22-5-6-22;1-30(28,29)27-6-3-18(4-7-27)26-20-10-15(8-14-2-5-24-13-19(14)20)16-9-17(21(22)23)12-25-11-16/h4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3;5,8,11-16,21-22,27H,2-4,6-7,9-10H2,1H3;3-4,7,10,13-16,21-22,27H,2,5-6,8-9,11-12H2,1H3;2,5,8-13,18,21,26H,3-4,6-7H2,1H3
InChIKeyFOGAYXSJJRKWEC-UHFFFAOYSA-N
XLogP16.54
TPSA305.69 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001755.24
LogP ≤ 516.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine with MolForge

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Related Compounds

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
N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 158809802
5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;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 159900351
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
(1S)-1-(1H-indol-3-yl)-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1R)-1-(1H-indol-3-yl)-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;bis((1S)-1-(1H-indol-3-yl)-2-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline);(1R)-1-(1H-indol-3-yl)-2-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1S)-1-(1H-indol-3-yl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1R)-1-(1H-indol-3-yl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 160390965
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
(1S)-1-(1H-indol-3-yl)-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1R)-1-(1H-indol-3-yl)-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1S)-1-(1H-indol-3-yl)-2-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1R)-1-(1H-indol-3-yl)-2-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1S)-1-(1H-indol-3-yl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1R)-1-(1H-indol-3-yl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 162155237
N-(1-benzylindazol-5-yl)-7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]quinolin-4-amine
CID 21952223
6-(1-methylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534698

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine?
The IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine (CID 158092236) is N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine.
What is the SMILES notation for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine?
The canonical SMILES for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine is CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc4cnn(C)c4c3)cc3ccncc23)CC1.CCc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cn1.CCc1cncc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)c1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C(F)F)c3)cc3ccncc23)CC1.
What is the InChIKey of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine?
The InChIKey is FOGAYXSJJRKWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S.2C24H28N4O2S.C21H22F2N4O2S/c1-3-32(30,31)29-10-7-21(8-11-29)27-23-13-20(12-18-6-9-25-16-22(18)23)17-4-5-19-15-26-28(2)24(19)14-17;1-2-17-11-20(15-26-14-17)19-12-18-5-8-25-16-23(18)24(13-19)27-21-6-9-28(10-7-21)31(29,30)22-3-4-22;1-2-20-4-3-18(15-26-20)19-13-17-7-10-25-16-23(17)24(14-19)27-21-8-11-28(12-9-21)31(29,30)22-5-6-22;1-30(28,29)27-6-3-18(4-7-27)26-20-10-15(8-14-2-5-24-13-19(14)20)16-9-17(21(22)23)12-25-11-16/h4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3;5,8,11-16,21-22,27H,2-4,6-7,9-10H2,1H3;3-4,7,10,13-16,21-22,27H,2,5-6,8-9,11-12H2,1H3;2,5,8-13,18,21,26H,3-4,6-7H2,1H3.
What are the key properties of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine?
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine has a molecular weight of 1755.24 g/mol, XLogP of 16.54, 22 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-ethyl-3-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-ethyl-3-pyridinyl)isoquinolin-8-amine;6-[5-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine is sourced from PubChem (CID 158092236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).