N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine

C74H97N21O9S3 — CID 167636219

About N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine

N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167636219) has the molecular formula C74H97N21O9S3 and a molecular weight of 1520.93 g/mol. Its IUPAC name is N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

• Compound Name: N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167636219
• Molecular Formula: C74H97N21O9S3
• Molecular Weight: 1520.93 g/mol
• Exact Mass: 1519.69
• IUPAC Name: N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: CCS(=O)(=O)N1CCC(n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)C1.CCS(=O)(=O)NC1CC(n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)C1.CCS(=O)(=O)NC1CCC(n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)CC1
• InChI: InChI=1S/C26H35N7O3S.2C24H31N7O3S/c1-4-37(34,35)31-20-5-7-21(8-6-20)33-16-22(13-29-33)36-26-25(27)28-14-24(30-26)18-11-17(2)23-9-10-32(3)15-19(23)12-18;1-4-35(32,33)30-8-5-19(14-30)31-15-20(11-27-31)34-24-23(25)26-12-22(28-24)17-9-16(2)21-6-7-29(3)13-18(21)10-17;1-4-35(32,33)29-18-9-19(10-18)31-14-20(11-27-31)34-24-23(25)26-12-22(28-24)16-7-15(2)21-5-6-30(3)13-17(21)8-16/h11-14,16,20-21,31H,4-10,15H2,1-3H3,(H2,27,28);9-12,15,19H,4-8,13-14H2,1-3H3,(H2,25,26);7-8,11-12,14,18-19,29H,4-6,9-10,13H2,1-3H3,(H2,25,26)
• InChIKey: OMYKEDQZOKPHQH-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 375.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1520.93
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The IUPAC name of N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine (CID 167636219) is N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine.

What is the SMILES notation for N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The canonical SMILES for N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine is CCS(=O)(=O)N1CCC(n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)C1.CCS(=O)(=O)NC1CC(n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)C1.CCS(=O)(=O)NC1CCC(n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)CC1.

What is the InChIKey of N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is OMYKEDQZOKPHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O3S.2C24H31N7O3S/c1-4-37(34,35)31-20-5-7-21(8-6-20)33-16-22(13-29-33)36-26-25(27)28-14-24(30-26)18-11-17(2)23-9-10-32(3)15-19(23)12-18;1-4-35(32,33)30-8-5-19(14-30)31-15-20(11-27-31)34-24-23(25)26-12-22(28-24)17-9-16(2)21-6-7-29(3)13-18(21)10-17;1-4-35(32,33)29-18-9-19(10-18)31-14-20(11-27-31)34-24-23(25)26-12-22(28-24)16-7-15(2)21-5-6-30(3)13-17(21)8-16/h11-14,16,20-21,31H,4-10,15H2,1-3H3,(H2,27,28);9-12,15,19H,4-8,13-14H2,1-3H3,(H2,25,26);7-8,11-12,14,18-19,29H,4-6,9-10,13H2,1-3H3,(H2,25,26).

What are the key properties of N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine?

N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 1520.93 g/mol, XLogP of 8.70, 20 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutyl]ethanesulfonamide;N-[4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclohexyl]ethanesulfonamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167636219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).