2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid

C125H139F3N40O8 — CID 167558147

About 2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid

2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid (PubChem CID 167558147) has the molecular formula C125H139F3N40O8 and a molecular weight of 2386.75 g/mol. Its IUPAC name is 2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid
• PubChem CID: 167558147
• Molecular Formula: C125H139F3N40O8
• Molecular Weight: 2386.75 g/mol
• Exact Mass: 2385.17
• IUPAC Name: 2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid
• SMILES: Cc1cc(-c2cnc(N)c(-c3cnc(C(=O)N(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-c3ncc(C(=O)N(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-c3ncc(C(=O)N(C)C)o3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CC(F)(F)F)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)O)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(N)=O)cn3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C22H24F3N7O.2C22H25N7O.C21H24N6O2.C19H21N7O.C19H20N6O2/c1-13-6-14(7-15-10-30(2)5-4-17(13)15)18-9-27-19(26)20(29-18)32-11-16(8-28-32)21(33)31(3)12-22(23,24)25;1-13-7-14(8-15-12-29(4)6-5-17(13)15)18-11-24-20(23)19(27-18)21-25-9-16(10-26-21)22(30)28(2)3;1-13-7-14(8-15-12-29(4)6-5-16(13)15)17-9-26-21(23)20(27-17)18-10-25-19(11-24-18)22(30)28(2)3;1-12-7-13(8-14-11-27(4)6-5-15(12)14)16-9-23-19(22)18(25-16)20-24-10-17(29-20)21(28)26(2)3;1-11-5-12(6-13-9-25(2)4-3-15(11)13)16-8-22-17(20)19(24-16)26-10-14(7-23-26)18(21)27;1-11-5-12(6-13-9-24(2)4-3-15(11)13)16-8-21-17(20)18(23-16)25-10-14(7-22-25)19(26)27/h6-9,11H,4-5,10,12H2,1-3H3,(H2,26,27);7-11H,5-6,12H2,1-4H3,(H2,23,24);7-11H,5-6,12H2,1-4H3,(H2,23,26);7-10H,5-6,11H2,1-4H3,(H2,22,23);5-8,10H,3-4,9H2,1-2H3,(H2,20,22)(H2,21,27);5-8,10H,3-4,9H2,1-2H3,(H2,20,21)(H,26,27)
• InChIKey: DHDPEPHYCCQYJF-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 622.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 19
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2386.75
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid?

The IUPAC name of 2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid (CID 167558147) is 2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid.

What is the SMILES notation for 2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid?

The canonical SMILES for 2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid is Cc1cc(-c2cnc(N)c(-c3cnc(C(=O)N(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-c3ncc(C(=O)N(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-c3ncc(C(=O)N(C)C)o3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CC(F)(F)F)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)O)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(N)=O)cn3)n2)cc2c1CCN(C)C2.

What is the InChIKey of 2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid?

The InChIKey is DHDPEPHYCCQYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O.2C22H25N7O.C21H24N6O2.C19H21N7O.C19H20N6O2/c1-13-6-14(7-15-10-30(2)5-4-17(13)15)18-9-27-19(26)20(29-18)32-11-16(8-28-32)21(33)31(3)12-22(23,24)25;1-13-7-14(8-15-12-29(4)6-5-17(13)15)18-11-24-20(23)19(27-18)21-25-9-16(10-26-21)22(30)28(2)3;1-13-7-14(8-15-12-29(4)6-5-16(13)15)17-9-26-21(23)20(27-17)18-10-25-19(11-24-18)22(30)28(2)3;1-12-7-13(8-14-11-27(4)6-5-15(12)14)16-9-23-19(22)18(25-16)20-24-10-17(29-20)21(28)26(2)3;1-11-5-12(6-13-9-25(2)4-3-15(11)13)16-8-22-17(20)19(24-16)26-10-14(7-23-26)18(21)27;1-11-5-12(6-13-9-24(2)4-3-15(11)13)16-8-21-17(20)18(23-16)25-10-14(7-22-25)19(26)27/h6-9,11H,4-5,10,12H2,1-3H3,(H2,26,27);7-11H,5-6,12H2,1-4H3,(H2,23,24);7-11H,5-6,12H2,1-4H3,(H2,23,26);7-10H,5-6,11H2,1-4H3,(H2,22,23);5-8,10H,3-4,9H2,1-2H3,(H2,20,22)(H2,21,27);5-8,10H,3-4,9H2,1-2H3,(H2,20,21)(H,26,27).

What are the key properties of 2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid?

2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 2386.75 g/mol, XLogP of 12.80, 19 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 167558147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).