1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]oxypyrazin-2-amine

C123H155N33O9 — CID 167631558

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)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-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167631558) has the molecular formula C123H155N33O9 and a molecular weight of 2239.81 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-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)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-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167631558
• Molecular Formula: C123H155N33O9
• Molecular Weight: 2239.81 g/mol
• Exact Mass: 2238.27
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CCOC4CCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CCC(C)(O)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CCC(C)(O)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CC4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CCOC(C)C)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C27H35N7O2.2C26H33N7O2.C23H30N6O2.C21H24N6O/c1-18-12-19(13-20-16-32(2)9-8-23(18)20)24-15-29-25(28)26(31-24)34-17-21(14-30-34)27(35)33(3)10-11-36-22-6-4-5-7-22;2*1-16-10-17(11-18-14-32(3)9-6-21(16)18)22-13-28-23(27)24(31-22)33-15-19(12-29-33)25(34)30-20-4-7-26(2,35)8-5-20;1-15(2)30-8-7-29-14-19(11-26-29)31-23-22(24)25-12-21(27-23)17-9-16(3)20-5-6-28(4)13-18(20)10-17;1-13-7-14(8-15-11-26(2)6-5-18(13)15)19-10-23-20(22)21(25-19)28-17-9-24-27(12-17)16-3-4-16/h12-15,17,22H,4-11,16H2,1-3H3,(H2,28,29);2*10-13,15,20,35H,4-9,14H2,1-3H3,(H2,27,28)(H,30,34);9-12,14-15H,5-8,13H2,1-4H3,(H2,24,25);7-10,12,16H,3-6,11H2,1-2H3,(H2,22,23)
• InChIKey: NWLDKMSMSFELSP-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 520.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2239.81
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

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-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)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-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]oxypyrazin-2-amine (CID 167631558) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)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-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)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-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]oxypyrazin-2-amine is Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CCOC4CCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CCC(C)(O)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CCC(C)(O)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CC4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CCOC(C)C)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-(2-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is NWLDKMSMSFELSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2.2C26H33N7O2.C23H30N6O2.C21H24N6O/c1-18-12-19(13-20-16-32(2)9-8-23(18)20)24-15-29-25(28)26(31-24)34-17-21(14-30-34)27(35)33(3)10-11-36-22-6-4-5-7-22;2*1-16-10-17(11-18-14-32(3)9-6-21(16)18)22-13-28-23(27)24(31-22)33-15-19(12-29-33)25(34)30-20-4-7-26(2,35)8-5-20;1-15(2)30-8-7-29-14-19(11-26-29)31-23-22(24)25-12-21(27-23)17-9-16(3)20-5-6-28(4)13-18(20)10-17;1-13-7-14(8-15-11-26(2)6-5-18(13)15)19-10-23-20(22)21(25-19)28-17-9-24-27(12-17)16-3-4-16/h12-15,17,22H,4-11,16H2,1-3H3,(H2,28,29);2*10-13,15,20,35H,4-9,14H2,1-3H3,(H2,27,28)(H,30,34);9-12,14-15H,5-8,13H2,1-4H3,(H2,24,25);7-10,12,16H,3-6,11H2,1-2H3,(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-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)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-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 2239.81 g/mol, XLogP of 15.28, 26 rotatable bonds, 9 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-(2-cyclopentyloxyethyl)-N-methylpyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);3-(1-cyclopropylpyrazol-4-yl)oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167631558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).