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

C97H115F3N16O8S4 — CID 161297430

IUPACN-(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
SMILESCCCCS(=O)(=O)N1CCC(Nc2cc(-c3cc(C)nc(C)c3)cc3ccncc23)CC1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CCC4)CC3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CCC4)CC3)c3cnccc3c2)ccn1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)c3cnccc3c2)cc(C)n1
InChIInChI=1S/C25H30N4O2S.C25H32N4O2S.C24H28N4O2S.C23H25F3N4O2S/c1-17-12-20(13-18(2)27-17)21-14-19-6-9-26-16-24(19)25(15-21)28-22-7-10-29(11-8-22)32(30,31)23-4-3-5-23;1-4-5-12-32(30,31)29-10-7-23(8-11-29)28-25-16-22(15-20-6-9-26-17-24(20)25)21-13-18(2)27-19(3)14-21;1-17-13-18(6-10-26-17)20-14-19-5-9-25-16-23(19)24(15-20)27-21-7-11-28(12-8-21)31(29,30)22-3-2-4-22;1-15-9-18(10-16(2)28-15)19-11-17-3-6-27-13-21(17)22(12-19)29-20-4-7-30(8-5-20)33(31,32)14-23(24,25)26/h6,9,12-16,22-23,28H,3-5,7-8,10-11H2,1-2H3;6,9,13-17,23,28H,4-5,7-8,10-12H2,1-3H3;5-6,9-10,13-16,21-22,27H,2-4,7-8,11-12H2,1H3;3,6,9-13,20,29H,4-5,7-8,14H2,1-2H3
InChIKeyVHDVPEJXUWBVBF-UHFFFAOYSA-N
MW1818.35 g/mol
LogP18.64
Rot. Bonds22

About 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

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 (PubChem CID 161297430) has the molecular formula C97H115F3N16O8S4 and a molecular weight of 1818.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID161297430
Molecular FormulaC97H115F3N16O8S4
Molecular Weight1818.35 g/mol
Exact Mass1816.79
IUPAC NameN-(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
SMILESCCCCS(=O)(=O)N1CCC(Nc2cc(-c3cc(C)nc(C)c3)cc3ccncc23)CC1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CCC4)CC3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CCC4)CC3)c3cnccc3c2)ccn1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)c3cnccc3c2)cc(C)n1
InChIInChI=1S/C25H30N4O2S.C25H32N4O2S.C24H28N4O2S.C23H25F3N4O2S/c1-17-12-20(13-18(2)27-17)21-14-19-6-9-26-16-24(19)25(15-21)28-22-7-10-29(11-8-22)32(30,31)23-4-3-5-23;1-4-5-12-32(30,31)29-10-7-23(8-11-29)28-25-16-22(15-20-6-9-26-17-24(20)25)21-13-18(2)27-19(3)14-21;1-17-13-18(6-10-26-17)20-14-19-5-9-25-16-23(19)24(15-20)27-21-7-11-28(12-8-21)31(29,30)22-3-2-4-22;1-15-9-18(10-16(2)28-15)19-11-17-3-6-27-13-21(17)22(12-19)29-20-4-7-30(8-5-20)33(31,32)14-23(24,25)26/h6,9,12-16,22-23,28H,3-5,7-8,10-11H2,1-2H3;6,9,13-17,23,28H,4-5,7-8,10-12H2,1-3H3;5-6,9-10,13-16,21-22,27H,2-4,7-8,11-12H2,1H3;3,6,9-13,20,29H,4-5,7-8,14H2,1-2H3
InChIKeyVHDVPEJXUWBVBF-UHFFFAOYSA-N
XLogP18.64
TPSA300.76 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001818.35
LogP ≤ 518.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(16,17-dimethyl-12,21-diazoniaheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene);tetrakis(trifluoromethanesulfonate)
CID 139092552
6-[2-(difluoromethyl)pyridin-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534706
N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)pyridin-3-yl]isoquinolin-8-amine
CID 59534718
6-[5-(fluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534720
N-(1-ethylsulfonylpiperidin-4-yl)-6-(4-fluoro-5-methyl-3-pyridinyl)isoquinolin-8-amine
CID 59534728
6-(5-fluoro-6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534741
6-(2-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534755
6-(2,6-difluoro-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534773
N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine
CID 59534799
6-(6-fluoro-2-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534801
6-[6-(difluoromethyl)pyridin-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534832
N-(1-methylsulfonylpiperidin-4-yl)-6-[6-(trifluoromethyl)pyridin-3-yl]isoquinolin-8-amine
CID 59534834

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCS(=O)(=O)N1CCC(Nc2cc(-c3cc(C)nc(C)c3)cc3ccncc23)CC1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CCC4)CC3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CCC4)CC3)c3cnccc3c2)ccn1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)c3cnccc3c2)cc(C)n1.
What is the InChIKey of 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?
The InChIKey is VHDVPEJXUWBVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S.C25H32N4O2S.C24H28N4O2S.C23H25F3N4O2S/c1-17-12-20(13-18(2)27-17)21-14-19-6-9-26-16-24(19)25(15-21)28-22-7-10-29(11-8-22)32(30,31)23-4-3-5-23;1-4-5-12-32(30,31)29-10-7-23(8-11-29)28-25-16-22(15-20-6-9-26-17-24(20)25)21-13-18(2)27-19(3)14-21;1-17-13-18(6-10-26-17)20-14-19-5-9-25-16-23(19)24(15-20)27-21-7-11-28(12-8-21)31(29,30)22-3-2-4-22;1-15-9-18(10-16(2)28-15)19-11-17-3-6-27-13-21(17)22(12-19)29-20-4-7-30(8-5-20)33(31,32)14-23(24,25)26/h6,9,12-16,22-23,28H,3-5,7-8,10-11H2,1-2H3;6,9,13-17,23,28H,4-5,7-8,10-12H2,1-3H3;5-6,9-10,13-16,21-22,27H,2-4,7-8,11-12H2,1H3;3,6,9-13,20,29H,4-5,7-8,14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1818.35 g/mol, XLogP of 18.64, 22 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161297430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).