1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine

C69H81N23O3 — CID 167593776

About 1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine

1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167593776) has the molecular formula C69H81N23O3 and a molecular weight of 1280.56 g/mol. Its IUPAC name is 1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

• Compound Name: 1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167593776
• Molecular Formula: C69H81N23O3
• Molecular Weight: 1280.56 g/mol
• Exact Mass: 1279.69
• IUPAC Name: 1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: CN1CCc2c(cc(-c3cnc(N)c(-n4cc(C(=O)N(C)C)cn4)n3)cc2NC2CC2)C1.CNc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)c4cccnc4)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C25H27N7O.C23H28N8O.C21H26N8O/c1-16-9-19(10-20-14-31(3)8-6-22(16)20)23-13-28-24(26)25(30-23)33-21-12-29-32(15-21)17(2)18-5-4-7-27-11-18;1-29(2)23(32)16-10-26-31(13-16)22-21(24)25-11-20(28-22)14-8-15-12-30(3)7-6-18(15)19(9-14)27-17-4-5-17;1-23-17-8-13(7-14-11-28(4)6-5-16(14)17)18-10-24-19(22)20(26-18)29-12-15(9-25-29)21(30)27(2)3/h4-5,7,9-13,15,17H,6,8,14H2,1-3H3,(H2,26,28);8-11,13,17,27H,4-7,12H2,1-3H3,(H2,24,25);7-10,12,23H,5-6,11H2,1-4H3,(H2,22,24)
• InChIKey: ITRMYTOHUGAPKJ-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 305.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1280.56
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine?

The IUPAC name of 1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine (CID 167593776) is 1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine.

What is the SMILES notation for 1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine?

The canonical SMILES for 1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine is CN1CCc2c(cc(-c3cnc(N)c(-n4cc(C(=O)N(C)C)cn4)n3)cc2NC2CC2)C1.CNc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)c4cccnc4)c3)n2)cc2c1CCN(C)C2.

What is the InChIKey of 1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is ITRMYTOHUGAPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O.C23H28N8O.C21H26N8O/c1-16-9-19(10-20-14-31(3)8-6-22(16)20)23-13-28-24(26)25(30-23)33-21-12-29-32(15-21)17(2)18-5-4-7-27-11-18;1-29(2)23(32)16-10-26-31(13-16)22-21(24)25-11-20(28-22)14-8-15-12-30(3)7-6-18(15)19(9-14)27-17-4-5-17;1-23-17-8-13(7-14-11-28(4)6-5-16(14)17)18-10-24-19(22)20(26-18)29-12-15(9-25-29)21(30)27(2)3/h4-5,7,9-13,15,17H,6,8,14H2,1-3H3,(H2,26,28);8-11,13,17,27H,4-7,12H2,1-3H3,(H2,24,25);7-10,12,23H,5-6,11H2,1-4H3,(H2,22,24).

What are the key properties of 1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine?

1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 1280.56 g/mol, XLogP of 7.83, 14 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-amino-6-[2-methyl-5-(methylamino)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-pyridin-3-ylethyl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167593776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).