1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine

C87H107N25O7 — CID 167668592

About 1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine

1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167668592) has the molecular formula C87H107N25O7 and a molecular weight of 1614.98 g/mol. Its IUPAC name is 1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

• Compound Name: 1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167668592
• Molecular Formula: C87H107N25O7
• Molecular Weight: 1614.98 g/mol
• Exact Mass: 1613.88
• IUPAC Name: 1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: CCOCCn1cc(Oc2nc(-c3cc(C)c4c(c3)CCN(C)C4)cnc2N)cn1.COCCn1cc(Oc2nc(-c3cc(C)c4c(c3)CCN(C)C4)cnc2N)cn1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C)cn3)n2)cc2c1CN(C)CC2.Cc1cc(-c2cnc(N)c(Oc3cnn(CCOC4CC4)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C23H28N6O2.C22H28N6O2.C21H25N7O.C21H26N6O2/c1-15-9-16(10-17-13-28(2)6-5-20(15)17)21-12-25-22(24)23(27-21)31-19-11-26-29(14-19)7-8-30-18-3-4-18;1-4-29-8-7-28-13-18(11-25-28)30-22-21(23)24-12-20(26-22)17-9-15(2)19-14-27(3)6-5-16(19)10-17;1-13-7-15(8-14-5-6-27(4)12-17(13)14)18-10-23-19(22)20(25-18)28-11-16(9-24-28)21(29)26(2)3;1-14-8-16(9-15-4-5-26(2)13-18(14)15)19-11-23-20(22)21(25-19)29-17-10-24-27(12-17)6-7-28-3/h9-12,14,18H,3-8,13H2,1-2H3,(H2,24,25);9-13H,4-8,14H2,1-3H3,(H2,23,24);7-11H,5-6,12H2,1-4H3,(H2,22,23);8-12H,4-7,13H2,1-3H3,(H2,22,23)
• InChIKey: SZSMXPJAAQNUAJ-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 367.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1614.98
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

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-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine?

The IUPAC name of 1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine (CID 167668592) is 1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine.

What is the SMILES notation for 1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine?

The canonical SMILES for 1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine is CCOCCn1cc(Oc2nc(-c3cc(C)c4c(c3)CCN(C)C4)cnc2N)cn1.COCCn1cc(Oc2nc(-c3cc(C)c4c(c3)CCN(C)C4)cnc2N)cn1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C)cn3)n2)cc2c1CN(C)CC2.Cc1cc(-c2cnc(N)c(Oc3cnn(CCOC4CC4)c3)n2)cc2c1CCN(C)C2.

What is the InChIKey of 1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is SZSMXPJAAQNUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2.C22H28N6O2.C21H25N7O.C21H26N6O2/c1-15-9-16(10-17-13-28(2)6-5-20(15)17)21-12-25-22(24)23(27-21)31-19-11-26-29(14-19)7-8-30-18-3-4-18;1-4-29-8-7-28-13-18(11-25-28)30-22-21(23)24-12-20(26-22)17-9-15(2)19-14-27(3)6-5-16(19)10-17;1-13-7-15(8-14-5-6-27(4)12-17(13)14)18-10-23-19(22)20(25-18)28-11-16(9-24-28)21(29)26(2)3;1-14-8-16(9-15-4-5-26(2)13-18(14)15)19-11-23-20(22)21(25-19)29-17-10-24-27(12-17)6-7-28-3/h9-12,14,18H,3-8,13H2,1-2H3,(H2,24,25);9-13H,4-8,14H2,1-3H3,(H2,23,24);7-11H,5-6,12H2,1-4H3,(H2,22,23);8-12H,4-7,13H2,1-3H3,(H2,22,23).

What are the key properties of 1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine?

1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 1614.98 g/mol, XLogP of 10.80, 23 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;3-[1-(2-cyclopropyloxyethyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167668592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).