6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine

C111H122F2N22O10S5 — CID 159148930

About 6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine

6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine (PubChem CID 159148930) has the molecular formula C111H122F2N22O10S5 and a molecular weight of 2122.67 g/mol. Its IUPAC name is 6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine.

Molecular Properties

• Compound Name: 6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine
• PubChem CID: 159148930
• Molecular Formula: C111H122F2N22O10S5
• Molecular Weight: 2122.67 g/mol
• Exact Mass: 2120.83
• IUPAC Name: 6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine
• SMILES: CC/N=C/C(=CN)c1cc(NC2CCN(S(=O)(=O)C3CC3)CC2)c2cnccc2c1.CS(=O)(=O)N1CCC(Nc2cc(-c3ccc(-n4cccn4)cc3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cnccc3F)cc3ccncc23)CC1.Cc1cc(C#N)cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(F)c3)cc3ccncc23)CC1
• InChI: InChI=1S/C24H25N5O2S.C23H24N4O2S.C22H23FN4O2S.C22H29N5O2S.C20H21FN4O2S/c1-32(30,31)28-13-8-21(9-14-28)27-24-16-20(15-19-7-11-25-17-23(19)24)18-3-5-22(6-4-18)29-12-2-10-26-29;1-16-9-17(14-24)11-19(10-16)20-12-18-3-6-25-15-22(18)23(13-20)26-21-4-7-27(8-5-21)30(2,28)29;23-18-10-17(12-25-13-18)16-9-15-3-6-24-14-21(15)22(11-16)26-19-4-7-27(8-5-19)30(28,29)20-1-2-20;1-2-24-14-18(13-23)17-11-16-5-8-25-15-21(16)22(12-17)26-19-6-9-27(10-7-19)30(28,29)20-3-4-20;1-28(26,27)25-8-4-16(5-9-25)24-20-11-15(17-12-23-7-3-19(17)21)10-14-2-6-22-13-18(14)20/h2-7,10-12,15-17,21,27H,8-9,13-14H2,1H3;3,6,9-13,15,21,26H,4-5,7-8H2,1-2H3;3,6,9-14,19-20,26H,1-2,4-5,7-8H2;5,8,11-15,19-20,26H,2-4,6-7,9-10,23H2,1H3;2-3,6-7,10-13,16,24H,4-5,8-9H2,1H3/b;;;18-13?,24-14+
• InChIKey: HWJAGAZSBCZSKJ-QUKZYODDSA-N
• XLogP: 17.91
• TPSA: 417.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2122.67
LogP ≤ 5	17.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine?

The IUPAC name of 6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine (CID 159148930) is 6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine.

What is the SMILES notation for 6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine?

The canonical SMILES for 6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine is CC/N=C/C(=CN)c1cc(NC2CCN(S(=O)(=O)C3CC3)CC2)c2cnccc2c1.CS(=O)(=O)N1CCC(Nc2cc(-c3ccc(-n4cccn4)cc3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cnccc3F)cc3ccncc23)CC1.Cc1cc(C#N)cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(F)c3)cc3ccncc23)CC1.

What is the InChIKey of 6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine?

The InChIKey is HWJAGAZSBCZSKJ-QUKZYODDSA-N. The full InChI is InChI=1S/C24H25N5O2S.C23H24N4O2S.C22H23FN4O2S.C22H29N5O2S.C20H21FN4O2S/c1-32(30,31)28-13-8-21(9-14-28)27-24-16-20(15-19-7-11-25-17-23(19)24)18-3-5-22(6-4-18)29-12-2-10-26-29;1-16-9-17(14-24)11-19(10-16)20-12-18-3-6-25-15-22(18)23(13-20)26-21-4-7-27(8-5-21)30(2,28)29;23-18-10-17(12-25-13-18)16-9-15-3-6-24-14-21(15)22(11-16)26-19-4-7-27(8-5-19)30(28,29)20-1-2-20;1-2-24-14-18(13-23)17-11-16-5-8-25-15-21(16)22(12-17)26-19-6-9-27(10-7-19)30(28,29)20-3-4-20;1-28(26,27)25-8-4-16(5-9-25)24-20-11-15(17-12-23-7-3-19(17)21)10-14-2-6-22-13-18(14)20/h2-7,10-12,15-17,21,27H,8-9,13-14H2,1H3;3,6,9-13,15,21,26H,4-5,7-8H2,1-2H3;3,6,9-14,19-20,26H,1-2,4-5,7-8H2;5,8,11-15,19-20,26H,2-4,6-7,9-10,23H2,1H3;2-3,6-7,10-13,16,24H,4-5,8-9H2,1H3/b;;;18-13?,24-14+;.

What are the key properties of 6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine?

6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine has a molecular weight of 2122.67 g/mol, XLogP of 17.91, 25 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;6-(4-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-methyl-5-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-pyrazol-1-ylphenyl)isoquinolin-8-amine is sourced from PubChem (CID 159148930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).