N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine

C114H118N18O10S5 — CID 161487260

IUPACN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine
SMILESCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(CC#N)cc3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3ccncc3)cc3ccncc23)CC1.Cc1ccc(C(=O)N2CCC(Oc3cc(-c4cccc(C#N)c4)cc4ccncc34)CC2)cn1.Cc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccsc3)cc3ccncc23)CC1
InChIInChI=1S/C28H24N4O2.C23H24N4O2S.C22H25N3O2S.C21H23N3O2S2.C20H22N4O2S/c1-19-5-6-23(17-31-19)28(33)32-11-8-25(9-12-32)34-27-15-24(14-22-7-10-30-18-26(22)27)21-4-2-3-20(13-21)16-29;1-30(28,29)27-12-8-21(9-13-27)26-23-15-20(14-19-7-11-25-16-22(19)23)18-4-2-17(3-5-18)6-10-24;1-16-4-3-5-17(12-16)19-13-18-6-9-23-15-21(18)22(14-19)24-20-7-10-25(11-8-20)28(2,26)27;25-28(26,19-1-2-19)24-8-4-18(5-9-24)23-21-12-17(16-6-10-27-14-16)11-15-3-7-22-13-20(15)21;1-27(25,26)24-10-5-18(6-11-24)23-20-13-17(15-2-7-21-8-3-15)12-16-4-9-22-14-19(16)20/h2-7,10,13-15,17-18,25H,8-9,11-12H2,1H3;2-5,7,11,14-16,21,26H,6,8-9,12-13H2,1H3;3-6,9,12-15,20,24H,7-8,10-11H2,1-2H3;3,6-7,10-14,18-19,23H,1-2,4-5,8-9H2;2-4,7-9,12-14,18,23H,5-6,10-11H2,1H3
InChIKeyWFDDKAMBUXQCIO-UHFFFAOYSA-N
MW2060.65 g/mol
LogP20.47
Rot. Bonds22

About N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine

N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine (PubChem CID 161487260) has the molecular formula C114H118N18O10S5 and a molecular weight of 2060.65 g/mol. Its IUPAC name is N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine
PubChem CID161487260
Molecular FormulaC114H118N18O10S5
Molecular Weight2060.65 g/mol
Exact Mass2058.79
IUPAC NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine
SMILESCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(CC#N)cc3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3ccncc3)cc3ccncc23)CC1.Cc1ccc(C(=O)N2CCC(Oc3cc(-c4cccc(C#N)c4)cc4ccncc34)CC2)cn1.Cc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccsc3)cc3ccncc23)CC1
InChIInChI=1S/C28H24N4O2.C23H24N4O2S.C22H25N3O2S.C21H23N3O2S2.C20H22N4O2S/c1-19-5-6-23(17-31-19)28(33)32-11-8-25(9-12-32)34-27-15-24(14-22-7-10-30-18-26(22)27)21-4-2-3-20(13-21)16-29;1-30(28,29)27-12-8-21(9-13-27)26-23-15-20(14-19-7-11-25-16-22(19)23)18-4-2-17(3-5-18)6-10-24;1-16-4-3-5-17(12-16)19-13-18-6-9-23-15-21(18)22(14-19)24-20-7-10-25(11-8-20)28(2,26)27;25-28(26,19-1-2-19)24-8-4-18(5-9-24)23-21-12-17(16-6-10-27-14-16)11-15-3-7-22-13-20(15)21;1-27(25,26)24-10-5-18(6-11-24)23-20-13-17(15-2-7-21-8-3-15)12-16-4-9-22-14-19(16)20/h2-7,10,13-15,17-18,25H,8-9,11-12H2,1H3;2-5,7,11,14-16,21,26H,6,8-9,12-13H2,1H3;3-6,9,12-15,20,24H,7-8,10-11H2,1-2H3;3,6-7,10-14,18-19,23H,1-2,4-5,8-9H2;2-4,7-9,12-14,18,23H,5-6,10-11H2,1H3
InChIKeyWFDDKAMBUXQCIO-UHFFFAOYSA-N
XLogP20.47
TPSA364.99 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002060.65
LogP ≤ 520.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine?
The IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine (CID 161487260) is N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine.
What is the SMILES notation for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine?
The canonical SMILES for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine is CS(=O)(=O)N1CCC(Nc2cc(-c3ccc(CC#N)cc3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3ccncc3)cc3ccncc23)CC1.Cc1ccc(C(=O)N2CCC(Oc3cc(-c4cccc(C#N)c4)cc4ccncc34)CC2)cn1.Cc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccsc3)cc3ccncc23)CC1.
What is the InChIKey of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine?
The InChIKey is WFDDKAMBUXQCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2.C23H24N4O2S.C22H25N3O2S.C21H23N3O2S2.C20H22N4O2S/c1-19-5-6-23(17-31-19)28(33)32-11-8-25(9-12-32)34-27-15-24(14-22-7-10-30-18-26(22)27)21-4-2-3-20(13-21)16-29;1-30(28,29)27-12-8-21(9-13-27)26-23-15-20(14-19-7-11-25-16-22(19)23)18-4-2-17(3-5-18)6-10-24;1-16-4-3-5-17(12-16)19-13-18-6-9-23-15-21(18)22(14-19)24-20-7-10-25(11-8-20)28(2,26)27;25-28(26,19-1-2-19)24-8-4-18(5-9-24)23-21-12-17(16-6-10-27-14-16)11-15-3-7-22-13-20(15)21;1-27(25,26)24-10-5-18(6-11-24)23-20-13-17(15-2-7-21-8-3-15)12-16-4-9-22-14-19(16)20/h2-7,10,13-15,17-18,25H,8-9,11-12H2,1H3;2-5,7,11,14-16,21,26H,6,8-9,12-13H2,1H3;3-6,9,12-15,20,24H,7-8,10-11H2,1-2H3;3,6-7,10-14,18-19,23H,1-2,4-5,8-9H2;2-4,7-9,12-14,18,23H,5-6,10-11H2,1H3.
What are the key properties of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine?
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine has a molecular weight of 2060.65 g/mol, XLogP of 20.47, 22 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine is sourced from PubChem (CID 161487260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).