1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine

C114H141N33O9S — CID 167622635

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167622635) has the molecular formula C114H141N33O9S and a molecular weight of 2149.67 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

• Compound Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167622635
• Molecular Formula: C114H141N33O9S
• Molecular Weight: 2149.67 g/mol
• Exact Mass: 2148.13
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: CCOCCN(C)C(=O)c1cnn(-c2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)c1.CCOc1cnn(-c2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)c1.CCS(=O)(=O)N1CC(n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)C1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CC4CCOCC4)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C24H31N7O2.C24H30N6O2.C23H29N7O3S.C23H27N7O.C20H24N6O/c1-5-33-9-8-30(4)24(32)19-12-27-31(15-19)23-22(25)26-13-21(28-23)17-10-16(2)20-6-7-29(3)14-18(20)11-17;1-16-9-18(10-19-14-29(2)6-3-21(16)19)22-12-26-23(25)24(28-22)32-20-11-27-30(15-20)13-17-4-7-31-8-5-17;1-4-34(31,32)29-12-18(13-29)30-14-19(9-26-30)33-23-22(24)25-10-21(27-23)16-7-15(2)20-5-6-28(3)11-17(20)8-16;1-14-8-15(9-16-12-28(2)7-6-19(14)16)20-11-25-21(24)22(27-20)30-13-17(10-26-30)23(31)29(3)18-4-5-18;1-4-27-16-9-23-26(12-16)20-19(21)22-10-18(24-20)14-7-13(2)17-5-6-25(3)11-15(17)8-14/h10-13,15H,5-9,14H2,1-4H3,(H2,25,26);9-12,15,17H,3-8,13-14H2,1-2H3,(H2,25,26);7-10,14,18H,4-6,11-13H2,1-3H3,(H2,24,25);8-11,13,18H,4-7,12H2,1-3H3,(H2,24,25);7-10,12H,4-6,11H2,1-3H3,(H2,21,22)
• InChIKey: MQTGKAPTYDKLJO-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 488.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2149.67
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine?

The IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine (CID 167622635) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine.

What is the SMILES notation for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine?

The canonical SMILES for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine is CCOCCN(C)C(=O)c1cnn(-c2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)c1.CCOc1cnn(-c2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)c1.CCS(=O)(=O)N1CC(n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)C1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CC4CCOCC4)c3)n2)cc2c1CCN(C)C2.

What is the InChIKey of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is MQTGKAPTYDKLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2.C24H30N6O2.C23H29N7O3S.C23H27N7O.C20H24N6O/c1-5-33-9-8-30(4)24(32)19-12-27-31(15-19)23-22(25)26-13-21(28-23)17-10-16(2)20-6-7-29(3)14-18(20)11-17;1-16-9-18(10-19-14-29(2)6-3-21(16)19)22-12-26-23(25)24(28-22)32-20-11-27-30(15-20)13-17-4-7-31-8-5-17;1-4-34(31,32)29-12-18(13-29)30-14-19(9-26-30)33-23-22(24)25-10-21(27-23)16-7-15(2)20-5-6-28(3)11-17(20)8-16;1-14-8-15(9-16-12-28(2)7-6-19(14)16)20-11-25-21(24)22(27-20)30-13-17(10-26-30)23(31)29(3)18-4-5-18;1-4-27-16-9-23-26(12-16)20-19(21)22-10-18(24-20)14-7-13(2)17-5-6-25(3)11-15(17)8-14/h10-13,15H,5-9,14H2,1-4H3,(H2,25,26);9-12,15,17H,3-8,13-14H2,1-2H3,(H2,25,26);7-10,14,18H,4-6,11-13H2,1-3H3,(H2,24,25);8-11,13,18H,4-7,12H2,1-3H3,(H2,24,25);7-10,12H,4-6,11H2,1-3H3,(H2,21,22).

What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine?

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 2149.67 g/mol, XLogP of 13.02, 26 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-ethoxypyrazol-1-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167622635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).