1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

C69H83N21O4 — CID 167609076

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167609076) has the molecular formula C69H83N21O4 and a molecular weight of 1270.57 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)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-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167609076
• Molecular Formula: C69H83N21O4
• Molecular Weight: 1270.57 g/mol
• Exact Mass: 1269.69
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CCC#N)c3)n2)cc2c1CN(C)CC2
• InChI: InChI=1S/C24H29N7O2.C24H31N7O.C21H23N7O/c1-15-8-16(9-17-12-29(2)6-4-20(15)17)21-11-26-22(25)23(28-21)31-13-18(10-27-31)24(32)30(3)19-5-7-33-14-19;1-16-10-17(11-18-14-30(3)9-6-21(16)18)22-13-26-23(25)24(28-22)32-20-12-27-31(15-20)19-4-7-29(2)8-5-19;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/h8-11,13,19H,4-7,12,14H2,1-3H3,(H2,25,26);10-13,15,19H,4-9,14H2,1-3H3,(H2,25,26);8-12H,3-4,6-7,13H2,1-2H3,(H2,23,24)
• InChIKey: KUDCLJGMQDVPDN-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 293.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1270.57
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

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-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)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-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (CID 167609076) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)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-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)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-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)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-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is KUDCLJGMQDVPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2.C24H31N7O.C21H23N7O/c1-15-8-16(9-17-12-29(2)6-4-20(15)17)21-11-26-22(25)23(28-21)31-13-18(10-27-31)24(32)30(3)19-5-7-33-14-19;1-16-10-17(11-18-14-30(3)9-6-21(16)18)22-13-26-23(25)24(28-22)32-20-12-27-31(15-20)19-4-7-29(2)8-5-19;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/h8-11,13,19H,4-7,12,14H2,1-3H3,(H2,25,26);10-13,15,19H,4-9,14H2,1-3H3,(H2,25,26);8-12H,3-4,6-7,13H2,1-2H3,(H2,23,24).

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

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 1270.57 g/mol, XLogP of 8.27, 13 rotatable bonds, 3 hydrogen bond donors, and 24 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-methyl-N-(oxolan-3-yl)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;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167609076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).