6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine

C113H132F3N23O10S5 — CID 157243981

About 6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine

6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine (PubChem CID 157243981) has the molecular formula C113H132F3N23O10S5 and a molecular weight of 2189.78 g/mol. Its IUPAC name is 6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine.

Molecular Properties

• Compound Name: 6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine
• PubChem CID: 157243981
• Molecular Formula: C113H132F3N23O10S5
• Molecular Weight: 2189.78 g/mol
• Exact Mass: 2187.91
• IUPAC Name: 6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine
• SMILES: CCC/N=C/C(=CN)c1cc(NC2CCN(S(=O)(=O)C3CC3)CC2)c2cnccc2c1.CCNc1ncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1C.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccnc(C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C(F)(F)F)c3)cc3ccncc23)CC1.N#Cc1cncc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)c1
• InChI: InChI=1S/C23H23N5O2S.C23H29N5O2S.C23H31N5O2S.C22H23F3N4O2S.C22H26N4O2S/c24-12-16-9-19(14-26-13-16)18-10-17-3-6-25-15-22(17)23(11-18)27-20-4-7-28(8-5-20)31(29,30)21-1-2-21;1-4-25-23-16(2)11-19(14-26-23)18-12-17-5-8-24-15-21(17)22(13-18)27-20-6-9-28(10-7-20)31(3,29)30;1-2-8-25-15-19(14-24)18-12-17-5-9-26-16-22(17)23(13-18)27-20-6-10-28(11-7-20)31(29,30)21-3-4-21;1-2-32(30,31)29-7-4-19(5-8-29)28-21-11-16(9-15-3-6-26-14-20(15)21)17-10-18(13-27-12-17)22(23,24)25;1-3-29(27,28)26-10-6-20(7-11-26)25-22-14-19(17-5-9-24-16(2)12-17)13-18-4-8-23-15-21(18)22/h3,6,9-11,13-15,20-21,27H,1-2,4-5,7-8H2;5,8,11-15,20,27H,4,6-7,9-10H2,1-3H3,(H,25,26);5,9,12-16,20-21,27H,2-4,6-8,10-11,24H2,1H3;3,6,9-14,19,28H,2,4-5,7-8H2,1H3;4-5,8-9,12-15,20,25H,3,6-7,10-11H2,1-2H3/b;;19-14?,25-15+
• InChIKey: MMJBLPVVZOKIDU-DQMSVRRCSA-N
• XLogP: 19.17
• TPSA: 437.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2189.78
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

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-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine?

The IUPAC name of 6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine (CID 157243981) is 6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine.

What is the SMILES notation for 6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine?

The canonical SMILES for 6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine is CCC/N=C/C(=CN)c1cc(NC2CCN(S(=O)(=O)C3CC3)CC2)c2cnccc2c1.CCNc1ncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1C.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccnc(C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C(F)(F)F)c3)cc3ccncc23)CC1.N#Cc1cncc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)c1.

What is the InChIKey of 6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine?

The InChIKey is MMJBLPVVZOKIDU-DQMSVRRCSA-N. The full InChI is InChI=1S/C23H23N5O2S.C23H29N5O2S.C23H31N5O2S.C22H23F3N4O2S.C22H26N4O2S/c24-12-16-9-19(14-26-13-16)18-10-17-3-6-25-15-22(17)23(11-18)27-20-4-7-28(8-5-20)31(29,30)21-1-2-21;1-4-25-23-16(2)11-19(14-26-23)18-12-17-5-8-24-15-21(17)22(13-18)27-20-6-9-28(10-7-20)31(3,29)30;1-2-8-25-15-19(14-24)18-12-17-5-9-26-16-22(17)23(13-18)27-20-6-10-28(11-7-20)31(29,30)21-3-4-21;1-2-32(30,31)29-7-4-19(5-8-29)28-21-11-16(9-15-3-6-26-14-20(15)21)17-10-18(13-27-12-17)22(23,24)25;1-3-29(27,28)26-10-6-20(7-11-26)25-22-14-19(17-5-9-24-16(2)12-17)13-18-4-8-23-15-21(18)22/h3,6,9-11,13-15,20-21,27H,1-2,4-5,7-8H2;5,8,11-15,20,27H,4,6-7,9-10H2,1-3H3,(H,25,26);5,9,12-16,20-21,27H,2-4,6-8,10-11,24H2,1H3;3,6,9-14,19,28H,2,4-5,7-8H2,1H3;4-5,8-9,12-15,20,25H,3,6-7,10-11H2,1-2H3/b;;19-14?,25-15+;;.

What are the key properties of 6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine?

6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine has a molecular weight of 2189.78 g/mol, XLogP of 19.17, 29 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-amino-3-propyliminoprop-1-en-2-yl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-3-carbonitrile;6-[6-(ethylamino)-5-methyl-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine is sourced from PubChem (CID 157243981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).