6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C106H128N22O10S5 — CID 158186167

IUPAC6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCC(C)Cn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.CNc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1.CNc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.Cc1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)ccn1.Cn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1
InChIInChI=1S/C22H29N5O2S.2C22H26N4O2S.C21H24N4O2S.C19H23N5O2S/c1-16(2)14-26-15-19(12-24-26)18-10-17-4-7-23-13-21(17)22(11-18)25-20-5-8-27(9-6-20)30(3,28)29;1-23-19-5-3-16(4-6-19)18-13-17-7-10-24-15-21(17)22(14-18)25-20-8-11-26(12-9-20)29(2,27)28;1-23-20-5-3-4-16(13-20)18-12-17-6-9-24-15-21(17)22(14-18)25-19-7-10-26(11-8-19)29(2,27)28;1-15-11-16(4-8-23-15)18-12-17-3-7-22-14-20(17)21(13-18)24-19-5-9-25(10-6-19)28(2,26)27;1-23-13-16(11-21-23)15-9-14-3-6-20-12-18(14)19(10-15)22-17-4-7-24(8-5-17)27(2,25)26/h4,7,10-13,15-16,20,25H,5-6,8-9,14H2,1-3H3;3-7,10,13-15,20,23,25H,8-9,11-12H2,1-2H3;3-6,9,12-15,19,23,25H,7-8,10-11H2,1-2H3;3-4,7-8,11-14,19,24H,5-6,9-10H2,1-2H3;3,6,9-13,17,22H,4-5,7-8H2,1-2H3
InChIKeyFZDVIWVNEGWISC-UHFFFAOYSA-N
MW2030.67 g/mol
LogP17.06
Rot. Bonds24

About 6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 158186167) has the molecular formula C106H128N22O10S5 and a molecular weight of 2030.67 g/mol. Its IUPAC name is 6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

Compound Name6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
PubChem CID158186167
Molecular FormulaC106H128N22O10S5
Molecular Weight2030.67 g/mol
Exact Mass2028.88
IUPAC Name6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCC(C)Cn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.CNc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1.CNc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.Cc1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)ccn1.Cn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1
InChIInChI=1S/C22H29N5O2S.2C22H26N4O2S.C21H24N4O2S.C19H23N5O2S/c1-16(2)14-26-15-19(12-24-26)18-10-17-4-7-23-13-21(17)22(11-18)25-20-5-8-27(9-6-20)30(3,28)29;1-23-19-5-3-16(4-6-19)18-13-17-7-10-24-15-21(17)22(14-18)25-20-8-11-26(12-9-20)29(2,27)28;1-23-20-5-3-4-16(13-20)18-12-17-6-9-24-15-21(17)22(14-18)25-19-7-10-26(11-8-19)29(2,27)28;1-15-11-16(4-8-23-15)18-12-17-3-7-22-14-20(17)21(13-18)24-19-5-9-25(10-6-19)28(2,26)27;1-23-13-16(11-21-23)15-9-14-3-6-20-12-18(14)19(10-15)22-17-4-7-24(8-5-17)27(2,25)26/h4,7,10-13,15-16,20,25H,5-6,8-9,14H2,1-3H3;3-7,10,13-15,20,23,25H,8-9,11-12H2,1-2H3;3-6,9,12-15,19,23,25H,7-8,10-11H2,1-2H3;3-4,7-8,11-14,19,24H,5-6,9-10H2,1-2H3;3,6,9-13,17,22H,4-5,7-8H2,1-2H3
InChIKeyFZDVIWVNEGWISC-UHFFFAOYSA-N
XLogP17.06
TPSA384.09 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002030.67
LogP ≤ 517.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze 6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine with MolForge

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Related Compounds

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-(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-(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
6-(1-methylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534698
6-(1H-indazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534723
6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534763
6-(1-methylindazol-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534768
N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine
CID 59534771
6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534836
6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534844
6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534850
N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine
CID 59534895

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The IUPAC name of 6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 158186167) is 6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.
What is the SMILES notation for 6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The canonical SMILES for 6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is CC(C)Cn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.CNc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1.CNc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.Cc1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)ccn1.Cn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.
What is the InChIKey of 6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The InChIKey is FZDVIWVNEGWISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S.2C22H26N4O2S.C21H24N4O2S.C19H23N5O2S/c1-16(2)14-26-15-19(12-24-26)18-10-17-4-7-23-13-21(17)22(11-18)25-20-5-8-27(9-6-20)30(3,28)29;1-23-19-5-3-16(4-6-19)18-13-17-7-10-24-15-21(17)22(14-18)25-20-8-11-26(12-9-20)29(2,27)28;1-23-20-5-3-4-16(13-20)18-12-17-6-9-24-15-21(17)22(14-18)25-19-7-10-26(11-8-19)29(2,27)28;1-15-11-16(4-8-23-15)18-12-17-3-7-22-14-20(17)21(13-18)24-19-5-9-25(10-6-19)28(2,26)27;1-23-13-16(11-21-23)15-9-14-3-6-20-12-18(14)19(10-15)22-17-4-7-24(8-5-17)27(2,25)26/h4,7,10-13,15-16,20,25H,5-6,8-9,14H2,1-3H3;3-7,10,13-15,20,23,25H,8-9,11-12H2,1-2H3;3-6,9,12-15,19,23,25H,7-8,10-11H2,1-2H3;3-4,7-8,11-14,19,24H,5-6,9-10H2,1-2H3;3,6,9-13,17,22H,4-5,7-8H2,1-2H3.
What are the key properties of 6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 2030.67 g/mol, XLogP of 17.06, 24 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 158186167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).