cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C98H116N16O6S2 — CID 158549113

About cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine

cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 158549113) has the molecular formula C98H116N16O6S2 and a molecular weight of 1678.25 g/mol. Its IUPAC name is cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

• Compound Name: cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine
• PubChem CID: 158549113
• Molecular Formula: C98H116N16O6S2
• Molecular Weight: 1678.25 g/mol
• Exact Mass: 1676.87
• IUPAC Name: cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine
• SMILES: CCCS(=O)(=O)N1CCC(Nc2cc(-c3cc(C)nc(C)c3)cc3ccncc23)CC1.CCCS(=O)(=O)N1CCC(Nc2cc(-c3ccnc(C)c3)cc3ccncc23)CC1.Cc1cc(-c2cc(NC3CCN(C(=O)C4CC4)CC3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CCN(C(=O)C4CCC4)CC3)c3cnccc3c2)cc(C)n1
• InChI: InChI=1S/C26H30N4O.C25H28N4O.C24H30N4O2S.C23H28N4O2S/c1-17-12-21(13-18(2)28-17)22-14-20-6-9-27-16-24(20)25(15-22)29-23-7-10-30(11-8-23)26(31)19-4-3-5-19;1-16-11-20(12-17(2)27-16)21-13-19-5-8-26-15-23(19)24(14-21)28-22-6-9-29(10-7-22)25(30)18-3-4-18;1-4-11-31(29,30)28-9-6-22(7-10-28)27-24-15-21(14-19-5-8-25-16-23(19)24)20-12-17(2)26-18(3)13-20;1-3-12-30(28,29)27-10-6-21(7-11-27)26-23-15-20(18-5-9-25-17(2)13-18)14-19-4-8-24-16-22(19)23/h6,9,12-16,19,23,29H,3-5,7-8,10-11H2,1-2H3;5,8,11-15,18,22,28H,3-4,6-7,9-10H2,1-2H3;5,8,12-16,22,27H,4,6-7,9-11H2,1-3H3;4-5,8-9,13-16,21,26H,3,6-7,10-12H2,1-2H3
• InChIKey: HPMKXFMRPDADEQ-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 266.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1678.25
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

The IUPAC name of cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 158549113) is cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

What is the SMILES notation for cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

The canonical SMILES for cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine is CCCS(=O)(=O)N1CCC(Nc2cc(-c3cc(C)nc(C)c3)cc3ccncc23)CC1.CCCS(=O)(=O)N1CCC(Nc2cc(-c3ccnc(C)c3)cc3ccncc23)CC1.Cc1cc(-c2cc(NC3CCN(C(=O)C4CC4)CC3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CCN(C(=O)C4CCC4)CC3)c3cnccc3c2)cc(C)n1.

What is the InChIKey of cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

The InChIKey is HPMKXFMRPDADEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O.C25H28N4O.C24H30N4O2S.C23H28N4O2S/c1-17-12-21(13-18(2)28-17)22-14-20-6-9-27-16-24(20)25(15-22)29-23-7-10-30(11-8-23)26(31)19-4-3-5-19;1-16-11-20(12-17(2)27-16)21-13-19-5-8-26-15-23(19)24(14-21)28-22-6-9-29(10-7-22)25(30)18-3-4-18;1-4-11-31(29,30)28-9-6-22(7-10-28)27-24-15-21(14-19-5-8-25-16-23(19)24)20-12-17(2)26-18(3)13-20;1-3-12-30(28,29)27-10-6-21(7-11-27)26-23-15-20(18-5-9-25-17(2)13-18)14-19-4-8-24-16-22(19)23/h6,9,12-16,19,23,29H,3-5,7-8,10-11H2,1-2H3;5,8,11-15,18,22,28H,3-4,6-7,9-10H2,1-2H3;5,8,12-16,22,27H,4,6-7,9-11H2,1-3H3;4-5,8-9,13-16,21,26H,3,6-7,10-12H2,1-2H3.

What are the key properties of cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 1678.25 g/mol, XLogP of 18.59, 20 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 158549113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).