1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile

C121H145N37O6 — CID 167571742

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile (PubChem CID 167571742) has the molecular formula C121H145N37O6 and a molecular weight of 2213.74 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

• Compound Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile
• PubChem CID: 167571742
• Molecular Formula: C121H145N37O6
• Molecular Weight: 2213.74 g/mol
• Exact Mass: 2212.22
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile
• SMILES: Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CCN(CCN5CCOCC5)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)(C)CC#N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4(CC#N)CC4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CC(C)(C)C#N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CC(C)C#N)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C30H41N9O2.C23H25N7O.2C23H27N7O.C22H25N7O/c1-21-15-22(16-23-19-36(2)6-5-26(21)23)27-18-32-28(31)29(35-27)39-20-24(17-33-39)30(40)34-25-3-7-37(8-4-25)9-10-38-11-13-41-14-12-38;1-15-9-16(10-17-13-29(2)8-3-19(15)17)20-12-26-21(25)22(28-20)31-18-11-27-30(14-18)23(4-5-23)6-7-24;1-15-9-16(10-17-13-29(4)8-5-19(15)17)20-12-26-21(25)22(28-20)31-18-11-27-30(14-18)23(2,3)6-7-24;1-15-7-16(8-17-11-29(4)6-5-19(15)17)20-10-26-21(25)22(28-20)31-18-9-27-30(12-18)14-23(2,3)13-24;1-14(8-23)11-29-13-18(9-26-29)30-22-21(24)25-10-20(27-22)16-6-15(2)19-4-5-28(3)12-17(19)7-16/h15-18,20,25H,3-14,19H2,1-2H3,(H2,31,32)(H,34,40);9-12,14H,3-6,8,13H2,1-2H3,(H2,25,26);9-12,14H,5-6,8,13H2,1-4H3,(H2,25,26);7-10,12H,5-6,11,14H2,1-4H3,(H2,25,26);6-7,9-10,13-14H,4-5,11-12H2,1-3H3,(H2,24,25)
• InChIKey: FZOUNUXYQPBBCZ-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 541.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2213.74
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

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-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile?

The IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile (CID 167571742) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile.

What is the SMILES notation for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile?

The canonical SMILES for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile is Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CCN(CCN5CCOCC5)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)(C)CC#N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4(CC#N)CC4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CC(C)(C)C#N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CC(C)C#N)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-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile?

The InChIKey is FZOUNUXYQPBBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N9O2.C23H25N7O.2C23H27N7O.C22H25N7O/c1-21-15-22(16-23-19-36(2)6-5-26(21)23)27-18-32-28(31)29(35-27)39-20-24(17-33-39)30(40)34-25-3-7-37(8-4-25)9-10-38-11-13-41-14-12-38;1-15-9-16(10-17-13-29(2)8-3-19(15)17)20-12-26-21(25)22(28-20)31-18-11-27-30(14-18)23(4-5-23)6-7-24;1-15-9-16(10-17-13-29(4)8-5-19(15)17)20-12-26-21(25)22(28-20)31-18-11-27-30(14-18)23(2,3)6-7-24;1-15-7-16(8-17-11-29(4)6-5-19(15)17)20-10-26-21(25)22(28-20)31-18-9-27-30(12-18)14-23(2,3)13-24;1-14(8-23)11-29-13-18(9-26-29)30-22-21(24)25-10-20(27-22)16-6-15(2)19-4-5-28(3)12-17(19)7-16/h15-18,20,25H,3-14,19H2,1-2H3,(H2,31,32)(H,34,40);9-12,14H,3-6,8,13H2,1-2H3,(H2,25,26);9-12,14H,5-6,8,13H2,1-4H3,(H2,25,26);7-10,12H,5-6,11,14H2,1-4H3,(H2,25,26);6-7,9-10,13-14H,4-5,11-12H2,1-3H3,(H2,24,25).

What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile?

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile has a molecular weight of 2213.74 g/mol, XLogP of 15.54, 27 rotatable bonds, 6 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-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2,2-dimethylpropanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 167571742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).