4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol

C119H138FN19O15S5 — CID 159164559

IUPAC4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C(N)=O)cc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(CCCO)cc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C(N)=O)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(NC(C)=O)cc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NC(C)=O)c3)cc3ccncc23)CC1
InChIInChI=1S/C25H31N3O3S.2C24H28N4O3S.C23H25FN4O3S.C23H26N4O3S/c1-2-32(30,31)28-13-10-23(11-14-28)27-25-17-22(16-21-9-12-26-18-24(21)25)20-7-5-19(6-8-20)4-3-15-29;1-3-32(30,31)28-12-9-22(10-13-28)27-24-15-20(14-19-8-11-25-16-23(19)24)18-4-6-21(7-5-18)26-17(2)29;1-3-32(30,31)28-11-8-21(9-12-28)27-24-15-20(13-19-7-10-25-16-23(19)24)18-5-4-6-22(14-18)26-17(2)29;1-2-32(30,31)28-9-6-18(7-10-28)27-22-13-17(11-16-5-8-26-14-20(16)22)15-3-4-21(24)19(12-15)23(25)29;1-2-31(29,30)27-11-8-20(9-12-27)26-22-14-19(13-18-7-10-25-15-21(18)22)16-3-5-17(6-4-16)23(24)28/h5-9,12,16-18,23,27,29H,2-4,10-11,13-15H2,1H3;4-8,11,14-16,22,27H,3,9-10,12-13H2,1-2H3,(H,26,29);4-7,10,13-16,21,27H,3,8-9,11-12H2,1-2H3,(H,26,29);3-5,8,11-14,18,27H,2,6-7,9-10H2,1H3,(H2,25,29);3-7,10,13-15,20,26H,2,8-9,11-12H2,1H3,(H2,24,28)
InChIKeyKKXGGQGNUCNQBQ-UHFFFAOYSA-N
MW2253.86 g/mol
LogP18.82
Rot. Bonds32

About 4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol

4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol (PubChem CID 159164559) has the molecular formula C119H138FN19O15S5 and a molecular weight of 2253.86 g/mol. Its IUPAC name is 4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol
PubChem CID159164559
Molecular FormulaC119H138FN19O15S5
Molecular Weight2253.86 g/mol
Exact Mass2251.92
IUPAC Name4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C(N)=O)cc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(CCCO)cc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C(N)=O)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(NC(C)=O)cc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NC(C)=O)c3)cc3ccncc23)CC1
InChIInChI=1S/C25H31N3O3S.2C24H28N4O3S.C23H25FN4O3S.C23H26N4O3S/c1-2-32(30,31)28-13-10-23(11-14-28)27-25-17-22(16-21-9-12-26-18-24(21)25)20-7-5-19(6-8-20)4-3-15-29;1-3-32(30,31)28-12-9-22(10-13-28)27-24-15-20(14-19-8-11-25-16-23(19)24)18-4-6-21(7-5-18)26-17(2)29;1-3-32(30,31)28-11-8-21(9-12-28)27-24-15-20(13-19-7-10-25-16-23(19)24)18-5-4-6-22(14-18)26-17(2)29;1-2-32(30,31)28-9-6-18(7-10-28)27-22-13-17(11-16-5-8-26-14-20(16)22)15-3-4-21(24)19(12-15)23(25)29;1-2-31(29,30)27-11-8-20(9-12-27)26-22-14-19(13-18-7-10-25-15-21(18)22)16-3-5-17(6-4-16)23(24)28/h5-9,12,16-18,23,27,29H,2-4,10-11,13-15H2,1H3;4-8,11,14-16,22,27H,3,9-10,12-13H2,1-2H3,(H,26,29);4-7,10,13-16,21,27H,3,8-9,11-12H2,1-2H3,(H,26,29);3-5,8,11-14,18,27H,2,6-7,9-10H2,1H3,(H2,25,29);3-7,10,13-15,20,26H,2,8-9,11-12H2,1H3,(H2,24,28)
InChIKeyKKXGGQGNUCNQBQ-UHFFFAOYSA-N
XLogP18.82
TPSA476.11 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002253.86
LogP ≤ 518.82
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol with MolForge

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Related Compounds

4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide
CID 157060016
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
[3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol
CID 157355898
4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide
CID 157422841
4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide
CID 157427104
4-anilino-N-cyclopropyl-7-fluoro-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-methyl-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-N-cyclopropyl-7-fluoro-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-fluoro-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-methyl-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane
CID 157698175
4-anilino-N-tert-butyl-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;1-[4-anilino-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(2-propylsulfinylethyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(2-propylsulfinylethyl)quinolin-3-yl]propan-1-one;methane
CID 157743949
4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide
CID 157953678
4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1H-pyrazol-5-yl)isoquinolin-8-amine
CID 158195845
6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carboxamide;2-fluoro-5-[8-[[1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 158353289
4-anilino-N-cyclopropyl-7-fluoro-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-methyl-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-N-cyclopropyl-7-fluoro-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-fluoro-4-(methylamino)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-methyl-4-(methylamino)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;methane
CID 158629159
4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-3-fluorobenzonitrile;N-[[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methyl]-2-hydroxyacetamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;[5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]thiophen-2-yl]methanol
CID 159219841

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol?
The IUPAC name of 4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol (CID 159164559) is 4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol.
What is the SMILES notation for 4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol?
The canonical SMILES for 4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol is CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C(N)=O)cc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(CCCO)cc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C(N)=O)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(NC(C)=O)cc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NC(C)=O)c3)cc3ccncc23)CC1.
What is the InChIKey of 4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol?
The InChIKey is KKXGGQGNUCNQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S.2C24H28N4O3S.C23H25FN4O3S.C23H26N4O3S/c1-2-32(30,31)28-13-10-23(11-14-28)27-25-17-22(16-21-9-12-26-18-24(21)25)20-7-5-19(6-8-20)4-3-15-29;1-3-32(30,31)28-12-9-22(10-13-28)27-24-15-20(14-19-8-11-25-16-23(19)24)18-4-6-21(7-5-18)26-17(2)29;1-3-32(30,31)28-11-8-21(9-12-28)27-24-15-20(13-19-7-10-25-16-23(19)24)18-5-4-6-22(14-18)26-17(2)29;1-2-32(30,31)28-9-6-18(7-10-28)27-22-13-17(11-16-5-8-26-14-20(16)22)15-3-4-21(24)19(12-15)23(25)29;1-2-31(29,30)27-11-8-20(9-12-27)26-22-14-19(13-18-7-10-25-15-21(18)22)16-3-5-17(6-4-16)23(24)28/h5-9,12,16-18,23,27,29H,2-4,10-11,13-15H2,1H3;4-8,11,14-16,22,27H,3,9-10,12-13H2,1-2H3,(H,26,29);4-7,10,13-16,21,27H,3,8-9,11-12H2,1-2H3,(H,26,29);3-5,8,11-14,18,27H,2,6-7,9-10H2,1H3,(H2,25,29);3-7,10,13-15,20,26H,2,8-9,11-12H2,1H3,(H2,24,28).
What are the key properties of 4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol?
4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol has a molecular weight of 2253.86 g/mol, XLogP of 18.82, 32 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol is sourced from PubChem (CID 159164559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).