6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine

C113H128N22O10S5 — CID 159773248

About 6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine

6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine (PubChem CID 159773248) has the molecular formula C113H128N22O10S5 and a molecular weight of 2114.75 g/mol. Its IUPAC name is 6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine.

Molecular Properties

• Compound Name: 6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine
• PubChem CID: 159773248
• Molecular Formula: C113H128N22O10S5
• Molecular Weight: 2114.75 g/mol
• Exact Mass: 2112.88
• IUPAC Name: 6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine
• SMILES: CCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(C)n3)cc3ccncc23)CC1.CNc1cccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)c1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C4CC4)c3)cc3ccncc23)CC1.Cn1cc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cn1.N#Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cn1
• InChI: InChI=1S/C24H28N4O2S.C23H23N5O2S.C23H26N4O2S.C22H26N4O2S.C21H25N5O2S/c1-25-21-4-2-3-17(14-21)19-13-18-7-10-26-16-23(18)24(15-19)27-20-8-11-28(12-9-20)31(29,30)22-5-6-22;24-13-20-2-1-17(14-26-20)18-11-16-5-8-25-15-22(16)23(12-18)27-19-6-9-28(10-7-19)31(29,30)21-3-4-21;1-30(28,29)27-8-5-21(6-9-27)26-23-12-18(10-17-4-7-24-15-22(17)23)20-11-19(13-25-14-20)16-2-3-16;1-3-29(27,28)26-11-8-19(9-12-26)25-22-14-18(21-6-4-5-16(2)24-21)13-17-7-10-23-15-20(17)22;1-25-14-17(12-23-25)16-10-15-4-7-22-13-20(15)21(11-16)24-18-5-8-26(9-6-18)29(27,28)19-2-3-19/h2-4,7,10,13-16,20,22,25,27H,5-6,8-9,11-12H2,1H3;1-2,5,8,11-12,14-15,19,21,27H,3-4,6-7,9-10H2;4,7,10-16,21,26H,2-3,5-6,8-9H2,1H3;4-7,10,13-15,19,25H,3,8-9,11-12H2,1-2H3;4,7,10-14,18-19,24H,2-3,5-6,8-9H2,1H3
• InChIKey: NGJWNWZXJCYMTB-UHFFFAOYSA-N
• XLogP: 18.69
• TPSA: 403.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.75
LogP ≤ 5	18.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine?

The IUPAC name of 6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine (CID 159773248) is 6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine.

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

The canonical SMILES for 6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine is CCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(C)n3)cc3ccncc23)CC1.CNc1cccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)c1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C4CC4)c3)cc3ccncc23)CC1.Cn1cc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cn1.N#Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cn1.

What is the InChIKey of 6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine?

The InChIKey is NGJWNWZXJCYMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S.C23H23N5O2S.C23H26N4O2S.C22H26N4O2S.C21H25N5O2S/c1-25-21-4-2-3-17(14-21)19-13-18-7-10-26-16-23(18)24(15-19)27-20-8-11-28(12-9-20)31(29,30)22-5-6-22;24-13-20-2-1-17(14-26-20)18-11-16-5-8-25-15-22(16)23(12-18)27-19-6-9-28(10-7-19)31(29,30)21-3-4-21;1-30(28,29)27-8-5-21(6-9-27)26-23-12-18(10-17-4-7-24-15-22(17)23)20-11-19(13-25-14-20)16-2-3-16;1-3-29(27,28)26-11-8-19(9-12-26)25-22-14-18(21-6-4-5-16(2)24-21)13-17-7-10-23-15-20(17)22;1-25-14-17(12-23-25)16-10-15-4-7-22-13-20(15)21(11-16)24-18-5-8-26(9-6-18)29(27,28)19-2-3-19/h2-4,7,10,13-16,20,22,25,27H,5-6,8-9,11-12H2,1H3;1-2,5,8,11-12,14-15,19,21,27H,3-4,6-7,9-10H2;4,7,10-16,21,26H,2-3,5-6,8-9H2,1H3;4-7,10,13-15,19,25H,3,8-9,11-12H2,1-2H3;4,7,10-14,18-19,24H,2-3,5-6,8-9H2,1H3.

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

6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine has a molecular weight of 2114.75 g/mol, XLogP of 18.69, 26 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyclopropyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(1-methylpyrazol-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine is sourced from PubChem (CID 159773248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).