6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine

C110H128F3N19O10S7 — CID 159808748

IUPAC6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine
SMILESCCNc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C)s3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3csc(C)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NC4CCC4)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C(F)(F)F)c3)cc3ccncc23)CC1
InChIInChI=1S/C25H30N4O2S.C22H27N5O2S.C21H21F3N4O2S.2C21H25N3O2S2/c1-32(30,31)29-12-9-22(10-13-29)28-25-16-20(14-19-8-11-26-17-24(19)25)18-4-2-7-23(15-18)27-21-5-3-6-21;1-3-24-22-5-4-17(14-25-22)18-12-16-6-9-23-15-20(16)21(13-18)26-19-7-10-27(11-8-19)30(2,28)29;1-31(29,30)28-6-3-18(4-7-28)27-20-10-15(8-14-2-5-25-13-19(14)20)16-9-17(12-26-11-16)21(22,23)24;1-3-28(25,26)24-8-5-19(6-9-24)23-21-12-17(18-10-15(2)27-14-18)11-16-4-7-22-13-20(16)21;1-3-28(25,26)24-10-7-18(8-11-24)23-20-13-17(21-5-4-15(2)27-21)12-16-6-9-22-14-19(16)20/h2,4,7-8,11,14-17,21-22,27-28H,3,5-6,9-10,12-13H2,1H3;4-6,9,12-15,19,26H,3,7-8,10-11H2,1-2H3,(H,24,25);2,5,8-13,18,27H,3-4,6-7H2,1H3;4,7,10-14,19,23H,3,5-6,8-9H2,1-2H3;4-6,9,12-14,18,23H,3,7-8,10-11H2,1-2H3
InChIKeyNKSZYVFRYVWUGU-UHFFFAOYSA-N
MW2157.82 g/mol
LogP21.41
Rot. Bonds26

About 6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine

6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine (PubChem CID 159808748) has the molecular formula C110H128F3N19O10S7 and a molecular weight of 2157.82 g/mol. Its IUPAC name is 6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine.

Molecular Properties

Compound Name6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine
PubChem CID159808748
Molecular FormulaC110H128F3N19O10S7
Molecular Weight2157.82 g/mol
Exact Mass2155.81
IUPAC Name6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine
SMILESCCNc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C)s3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3csc(C)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NC4CCC4)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C(F)(F)F)c3)cc3ccncc23)CC1
InChIInChI=1S/C25H30N4O2S.C22H27N5O2S.C21H21F3N4O2S.2C21H25N3O2S2/c1-32(30,31)29-12-9-22(10-13-29)28-25-16-20(14-19-8-11-26-17-24(19)25)18-4-2-7-23(15-18)27-21-5-3-6-21;1-3-24-22-5-4-17(14-25-22)18-12-16-6-9-23-15-20(16)21(13-18)26-19-7-10-27(11-8-19)30(2,28)29;1-31(29,30)28-6-3-18(4-7-28)27-20-10-15(8-14-2-5-25-13-19(14)20)16-9-17(12-26-11-16)21(22,23)24;1-3-28(25,26)24-8-5-19(6-9-24)23-21-12-17(18-10-15(2)27-14-18)11-16-4-7-22-13-20(16)21;1-3-28(25,26)24-10-7-18(8-11-24)23-20-13-17(21-5-4-15(2)27-21)12-16-6-9-22-14-19(16)20/h2,4,7-8,11,14-17,21-22,27-28H,3,5-6,9-10,12-13H2,1H3;4-6,9,12-15,19,26H,3,7-8,10-11H2,1-2H3,(H,24,25);2,5,8-13,18,27H,3-4,6-7H2,1H3;4,7,10-14,19,23H,3,5-6,8-9H2,1-2H3;4-6,9,12-14,18,23H,3,7-8,10-11H2,1-2H3
InChIKeyNKSZYVFRYVWUGU-UHFFFAOYSA-N
XLogP21.41
TPSA361.34 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002157.82
LogP ≤ 521.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]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
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157804773
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
N-tert-butyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-sulfonamide;N-[(5-fluoro-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;2-(5-methylsulfonyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-2-ylmethyl)quinazolin-4-amine;2-(5-methylsulfonyl-3-pyridinyl)-5-phenyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 160890596
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine
CID 157094066
N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide
CID 157489366
N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine;N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-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 157675616
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine
CID 158018343
12,22-Diethyl-9,18-dipyridin-4-yl-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-diethyl-9,18-di(thiophen-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-diphenyl-9,18-di(pyrimidin-5-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
CID 158633339
N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine
CID 158761650
1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine;ethane;1-N,1-N,6-N,6-N-tetra(isoquinolin-1-yl)pyrene-1,6-diamine
CID 159017483
bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine
CID 159989616

Frequently Asked Questions

What is the IUPAC name of 6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine?
The IUPAC name of 6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine (CID 159808748) is 6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine.
What is the SMILES notation for 6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine?
The canonical SMILES for 6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine is CCNc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C)s3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3csc(C)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NC4CCC4)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C(F)(F)F)c3)cc3ccncc23)CC1.
What is the InChIKey of 6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine?
The InChIKey is NKSZYVFRYVWUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S.C22H27N5O2S.C21H21F3N4O2S.2C21H25N3O2S2/c1-32(30,31)29-12-9-22(10-13-29)28-25-16-20(14-19-8-11-26-17-24(19)25)18-4-2-7-23(15-18)27-21-5-3-6-21;1-3-24-22-5-4-17(14-25-22)18-12-16-6-9-23-15-20(16)21(13-18)26-19-7-10-27(11-8-19)30(2,28)29;1-31(29,30)28-6-3-18(4-7-28)27-20-10-15(8-14-2-5-25-13-19(14)20)16-9-17(12-26-11-16)21(22,23)24;1-3-28(25,26)24-8-5-19(6-9-24)23-21-12-17(18-10-15(2)27-14-18)11-16-4-7-22-13-20(16)21;1-3-28(25,26)24-10-7-18(8-11-24)23-20-13-17(21-5-4-15(2)27-21)12-16-6-9-22-14-19(16)20/h2,4,7-8,11,14-17,21-22,27-28H,3,5-6,9-10,12-13H2,1H3;4-6,9,12-15,19,26H,3,7-8,10-11H2,1-2H3,(H,24,25);2,5,8-13,18,27H,3-4,6-7H2,1H3;4,7,10-14,19,23H,3,5-6,8-9H2,1-2H3;4-6,9,12-14,18,23H,3,7-8,10-11H2,1-2H3.
What are the key properties of 6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine?
6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine has a molecular weight of 2157.82 g/mol, XLogP of 21.41, 26 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine is sourced from PubChem (CID 159808748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).