1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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

C119H153N37O7 — CID 167562565

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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 167562565) has the molecular formula C119H153N37O7 and a molecular weight of 2213.78 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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: 167562565
• Molecular Formula: C119H153N37O7
• Molecular Weight: 2213.78 g/mol
• Exact Mass: 2212.28
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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: CCN1CCN(CCNC(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)CC1.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)NCCN4CCN(C(C)C)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CCC#N)c3)n2)cc2c1CN(C)CC2
• InChI: InChI=1S/C28H39N9O.C27H37N9O.C22H28N6O2.C21H23N7O.C21H26N6O2/c1-19(2)36-11-9-35(10-12-36)8-6-30-28(38)23-15-32-37(18-23)27-26(29)31-16-25(33-27)21-13-20(3)24-5-7-34(4)17-22(24)14-21;1-4-34-9-11-35(12-10-34)8-6-29-27(37)22-15-31-36(18-22)26-25(28)30-16-24(32-26)20-13-19(2)23-5-7-33(3)17-21(23)14-20;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;1-14-8-16(9-15-4-7-27(2)13-18(14)15)19-11-24-20(23)21(26-19)29-17-10-25-28(12-17)6-3-5-22;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/h13-16,18-19H,5-12,17H2,1-4H3,(H2,29,31)(H,30,38);13-16,18H,4-12,17H2,1-3H3,(H2,28,30)(H,29,37);9-13H,4-8,14H2,1-3H3,(H2,23,24);8-12H,3-4,6-7,13H2,1-2H3,(H2,23,24);8-12H,4-7,13H2,1-3H3,(H2,22,23)
• InChIKey: DVUOUQLVDYLFMA-UHFFFAOYSA-N
• XLogP: 12.17
• TPSA: 505.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2213.78
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

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-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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 167562565) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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 CCN1CCN(CCNC(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)CC1.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)NCCN4CCN(C(C)C)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CCC#N)c3)n2)cc2c1CN(C)CC2.

What is the InChIKey of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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 DVUOUQLVDYLFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N9O.C27H37N9O.C22H28N6O2.C21H23N7O.C21H26N6O2/c1-19(2)36-11-9-35(10-12-36)8-6-30-28(38)23-15-32-37(18-23)27-26(29)31-16-25(33-27)21-13-20(3)24-5-7-34(4)17-22(24)14-21;1-4-34-9-11-35(12-10-34)8-6-29-27(37)22-15-31-36(18-22)26-25(28)30-16-24(32-26)20-13-19(2)23-5-7-33(3)17-21(23)14-20;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;1-14-8-16(9-15-4-7-27(2)13-18(14)15)19-11-24-20(23)21(26-19)29-17-10-25-28(12-17)6-3-5-22;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/h13-16,18-19H,5-12,17H2,1-4H3,(H2,29,31)(H,30,38);13-16,18H,4-12,17H2,1-3H3,(H2,28,30)(H,29,37);9-13H,4-8,14H2,1-3H3,(H2,23,24);8-12H,3-4,6-7,13H2,1-2H3,(H2,23,24);8-12H,4-7,13H2,1-3H3,(H2,22,23).

What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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 2213.78 g/mol, XLogP of 12.17, 32 rotatable bonds, 7 hydrogen bond donors, and 42 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-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;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 167562565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).