1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone

C77H85Cl4N15O5 — CID 167545906

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone (PubChem CID 167545906) has the molecular formula C77H85Cl4N15O5 and a molecular weight of 1442.44 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone.

Molecular Properties

• Compound Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone
• PubChem CID: 167545906
• Molecular Formula: C77H85Cl4N15O5
• Molecular Weight: 1442.44 g/mol
• Exact Mass: 1439.56
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone
• SMILES: Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(O[C@@H](C)c3c(Cl)ccc(C(=O)CC4CC4)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(C(=O)CC4CC4)c3Cl)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/2C28H30Cl2N4O2.C21H25N7O/c2*1-15-10-18(12-19-14-34(3)9-8-20(15)19)23-13-32-27(31)28(33-23)36-16(2)25-22(29)7-6-21(26(25)30)24(35)11-17-4-5-17;1-13-7-14(8-15-11-27(4)6-5-17(13)15)18-10-23-19(22)20(25-18)28-12-16(9-24-28)21(29)26(2)3/h2*6-7,10,12-13,16-17H,4-5,8-9,11,14H2,1-3H3,(H2,31,32);7-10,12H,5-6,11H2,1-4H3,(H2,22,23)/t2*16-;/m10./s1
• InChIKey: BUBULQVCJVKDHN-CQYLEEIWSA-N
• XLogP: 14.81
• TPSA: 255.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1442.44
LogP ≤ 5	14.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone?

The IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone (CID 167545906) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone.

What is the SMILES notation for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone?

The canonical SMILES for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone is Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(O[C@@H](C)c3c(Cl)ccc(C(=O)CC4CC4)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(C(=O)CC4CC4)c3Cl)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,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone?

The InChIKey is BUBULQVCJVKDHN-CQYLEEIWSA-N. The full InChI is InChI=1S/2C28H30Cl2N4O2.C21H25N7O/c2*1-15-10-18(12-19-14-34(3)9-8-20(15)19)23-13-32-27(31)28(33-23)36-16(2)25-22(29)7-6-21(26(25)30)24(35)11-17-4-5-17;1-13-7-14(8-15-11-27(4)6-5-17(13)15)18-10-23-19(22)20(25-18)28-12-16(9-24-28)21(29)26(2)3/h2*6-7,10,12-13,16-17H,4-5,8-9,11,14H2,1-3H3,(H2,31,32);7-10,12H,5-6,11H2,1-4H3,(H2,22,23)/t2*16-;/m10./s1.

What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone?

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone has a molecular weight of 1442.44 g/mol, XLogP of 14.81, 17 rotatable bonds, 3 hydrogen bond donors, and 19 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,N-dimethylpyrazole-4-carboxamide;1-[3-[(1R)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;1-[3-[(1S)-1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone is sourced from PubChem (CID 167545906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).