N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C111H130N20O10S5 — CID 158879665

About N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine

N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 158879665) has the molecular formula C111H130N20O10S5 and a molecular weight of 2064.73 g/mol. Its IUPAC name is N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

• Compound Name: N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
• PubChem CID: 158879665
• Molecular Formula: C111H130N20O10S5
• Molecular Weight: 2064.73 g/mol
• Exact Mass: 2062.89
• IUPAC Name: N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
• SMILES: C=C(NC1CN(S(=O)(=O)CC)C1)c1cnccc1/C=C/c1cc(C)nc(C)c1.CCCS(=O)(=O)N1CC(Nc2cc(-c3cc(C)nc(C)c3)cc3ccncc23)C1.Cc1cc(-c2cc(NC3CN(S(=O)(=O)C4CC4)C3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CN(S(=O)(=O)C4CCC4)C3)c3cnccc3c2)cc(C)n1.Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)C(C)C)CC3)c3cnccc3c2)cn1
• InChI: InChI=1S/C23H26N4O2S.C23H28N4O2S.C22H24N4O2S.C22H26N4O2S.C21H26N4O2S/c1-15-8-18(9-16(2)25-15)19-10-17-6-7-24-12-22(17)23(11-19)26-20-13-27(14-20)30(28,29)21-4-3-5-21;1-16(2)30(28,29)27-10-7-21(8-11-27)26-23-13-20(19-5-4-17(3)25-14-19)12-18-6-9-24-15-22(18)23;1-14-7-17(8-15(2)24-14)18-9-16-5-6-23-11-21(16)22(10-18)25-19-12-26(13-19)29(27,28)20-3-4-20;1-4-7-29(27,28)26-13-20(14-26)25-22-11-19(10-17-5-6-23-12-21(17)22)18-8-15(2)24-16(3)9-18;1-5-28(26,27)25-13-20(14-25)24-17(4)21-12-22-9-8-19(21)7-6-18-10-15(2)23-16(3)11-18/h6-12,20-21,26H,3-5,13-14H2,1-2H3;4-6,9,12-16,21,26H,7-8,10-11H2,1-3H3;5-11,19-20,25H,3-4,12-13H2,1-2H3;5-6,8-12,20,25H,4,7,13-14H2,1-3H3;6-12,20,24H,4-5,13-14H2,1-3H3/b;;;;7-6+
• InChIKey: JCWLINQSYHOCBE-IQOOCNMESA-N
• XLogP: 18.22
• TPSA: 375.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2064.73
LogP ≤ 5	18.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

The IUPAC name of N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 158879665) is N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

What is the SMILES notation for N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

The canonical SMILES for N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine is C=C(NC1CN(S(=O)(=O)CC)C1)c1cnccc1/C=C/c1cc(C)nc(C)c1.CCCS(=O)(=O)N1CC(Nc2cc(-c3cc(C)nc(C)c3)cc3ccncc23)C1.Cc1cc(-c2cc(NC3CN(S(=O)(=O)C4CC4)C3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CN(S(=O)(=O)C4CCC4)C3)c3cnccc3c2)cc(C)n1.Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)C(C)C)CC3)c3cnccc3c2)cn1.

What is the InChIKey of N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

The InChIKey is JCWLINQSYHOCBE-IQOOCNMESA-N. The full InChI is InChI=1S/C23H26N4O2S.C23H28N4O2S.C22H24N4O2S.C22H26N4O2S.C21H26N4O2S/c1-15-8-18(9-16(2)25-15)19-10-17-6-7-24-12-22(17)23(11-19)26-20-13-27(14-20)30(28,29)21-4-3-5-21;1-16(2)30(28,29)27-10-7-21(8-11-27)26-23-13-20(19-5-4-17(3)25-14-19)12-18-6-9-24-15-22(18)23;1-14-7-17(8-15(2)24-14)18-9-16-5-6-23-11-21(16)22(10-18)25-19-12-26(13-19)29(27,28)20-3-4-20;1-4-7-29(27,28)26-13-20(14-26)25-22-11-19(10-17-5-6-23-12-21(17)22)18-8-15(2)24-16(3)9-18;1-5-28(26,27)25-13-20(14-25)24-17(4)21-12-22-9-8-19(21)7-6-18-10-15(2)23-16(3)11-18/h6-12,20-21,26H,3-5,13-14H2,1-2H3;4-6,9,12-16,21,26H,7-8,10-11H2,1-3H3;5-11,19-20,25H,3-4,12-13H2,1-2H3;5-6,8-12,20,25H,4,7,13-14H2,1-3H3;6-12,20,24H,4-5,13-14H2,1-3H3/b;;;;7-6+.

What are the key properties of N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 2064.73 g/mol, XLogP of 18.22, 28 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclobutylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylazetidin-3-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-[1-[4-[(E)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]-3-pyridinyl]ethenyl]-1-ethylsulfonylazetidin-3-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylazetidin-3-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 158879665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).