N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine

C106H121FN20O10S7 — CID 158018343

About N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine

N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine (PubChem CID 158018343) has the molecular formula C106H121FN20O10S7 and a molecular weight of 2078.73 g/mol. Its IUPAC name is N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine.

Molecular Properties

• Compound Name: N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine
• PubChem CID: 158018343
• Molecular Formula: C106H121FN20O10S7
• Molecular Weight: 2078.73 g/mol
• Exact Mass: 2076.76
• IUPAC Name: N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine
• SMILES: CCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C)nc3)cc3ccncc23)CC1.Cc1cccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)n1.Cc1csc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)n1.Cc1ncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)s1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cccc(F)n3)cc3ccncc23)CC1
• InChI: InChI=1S/C23H26N4O2S.C23H28N4O2S.C22H23FN4O2S.2C19H22N4O2S2/c1-16-3-2-4-22(25-16)18-13-17-7-10-24-15-21(17)23(14-18)26-19-8-11-27(12-9-19)30(28,29)20-5-6-20;1-3-12-30(28,29)27-10-7-21(8-11-27)26-23-14-20(19-5-4-17(2)25-15-19)13-18-6-9-24-16-22(18)23;23-22-3-1-2-20(26-22)16-12-15-6-9-24-14-19(15)21(13-16)25-17-7-10-27(11-8-17)30(28,29)18-4-5-18;1-13-21-12-19(26-13)15-9-14-3-6-20-11-17(14)18(10-15)22-16-4-7-23(8-5-16)27(2,24)25;1-13-12-26-19(21-13)15-9-14-3-6-20-11-17(14)18(10-15)22-16-4-7-23(8-5-16)27(2,24)25/h2-4,7,10,13-15,19-20,26H,5-6,8-9,11-12H2,1H3;4-6,9,13-16,21,26H,3,7-8,10-12H2,1-2H3;1-3,6,9,12-14,17-18,25H,4-5,7-8,10-11H2;2*3,6,9-12,16,22H,4-5,7-8H2,1-2H3
• InChIKey: FFTGMJRAKADZGW-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 375.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2078.73
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine?

The IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine (CID 158018343) is N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine.

What is the SMILES notation for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine?

The canonical SMILES for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine is CCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C)nc3)cc3ccncc23)CC1.Cc1cccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)n1.Cc1csc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)n1.Cc1ncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)s1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cccc(F)n3)cc3ccncc23)CC1.

What is the InChIKey of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine?

The InChIKey is FFTGMJRAKADZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S.C23H28N4O2S.C22H23FN4O2S.2C19H22N4O2S2/c1-16-3-2-4-22(25-16)18-13-17-7-10-24-15-21(17)23(14-18)26-19-8-11-27(12-9-19)30(28,29)20-5-6-20;1-3-12-30(28,29)27-10-7-21(8-11-27)26-23-14-20(19-5-4-17(2)25-15-19)13-18-6-9-24-16-22(18)23;23-22-3-1-2-20(26-22)16-12-15-6-9-24-14-19(15)21(13-16)25-17-7-10-27(11-8-17)30(28,29)18-4-5-18;1-13-21-12-19(26-13)15-9-14-3-6-20-11-17(14)18(10-15)22-16-4-7-23(8-5-16)27(2,24)25;1-13-12-26-19(21-13)15-9-14-3-6-20-11-17(14)18(10-15)22-16-4-7-23(8-5-16)27(2,24)25/h2-4,7,10,13-15,19-20,26H,5-6,8-9,11-12H2,1H3;4-6,9,13-16,21,26H,3,7-8,10-12H2,1-2H3;1-3,6,9,12-14,17-18,25H,4-5,7-8,10-11H2;2*3,6,9-12,16,22H,4-5,7-8H2,1-2H3.

What are the key properties of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine?

N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine has a molecular weight of 2078.73 g/mol, XLogP of 19.00, 24 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine is sourced from PubChem (CID 158018343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).