3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine

C64H78N18O3 — CID 167609470

About 3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine

3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine (PubChem CID 167609470) has the molecular formula C64H78N18O3 and a molecular weight of 1147.45 g/mol. Its IUPAC name is 3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine.

Molecular Properties

• Compound Name: 3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
• PubChem CID: 167609470
• Molecular Formula: C64H78N18O3
• Molecular Weight: 1147.45 g/mol
• Exact Mass: 1146.65
• IUPAC Name: 3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
• SMILES: CCn1cc(Oc2nc(-c3cc(C)c4c(c3)CCN(C)C4)cnc2N)cn1.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)C)c3)n2)cc2c1CN(C)CC2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCCC4)c3)n2)cc2c1CN(C)CC2
• InChI: InChI=1S/C23H28N6O.C21H26N6O.C20H24N6O/c1-15-9-17(10-16-7-8-28(2)14-20(15)16)21-12-25-22(24)23(27-21)30-19-11-26-29(13-19)18-5-3-4-6-18;1-13(2)27-11-17(9-24-27)28-21-20(22)23-10-19(25-21)16-7-14(3)18-12-26(4)6-5-15(18)8-16;1-4-26-11-16(9-23-26)27-20-19(21)22-10-18(24-20)15-7-13(2)17-12-25(3)6-5-14(17)8-15/h9-13,18H,3-8,14H2,1-2H3,(H2,24,25);7-11,13H,5-6,12H2,1-4H3,(H2,22,23);7-11H,4-6,12H2,1-3H3,(H2,21,22)
• InChIKey: KVLICJZFMVYELX-UHFFFAOYSA-N
• XLogP: 10.75
• TPSA: 246.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1147.45
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine?

The IUPAC name of 3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine (CID 167609470) is 3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine.

What is the SMILES notation for 3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine?

The canonical SMILES for 3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine is CCn1cc(Oc2nc(-c3cc(C)c4c(c3)CCN(C)C4)cnc2N)cn1.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)C)c3)n2)cc2c1CN(C)CC2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCCC4)c3)n2)cc2c1CN(C)CC2.

What is the InChIKey of 3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine?

The InChIKey is KVLICJZFMVYELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.C21H26N6O.C20H24N6O/c1-15-9-17(10-16-7-8-28(2)14-20(15)16)21-12-25-22(24)23(27-21)30-19-11-26-29(13-19)18-5-3-4-6-18;1-13(2)27-11-17(9-24-27)28-21-20(22)23-10-19(25-21)16-7-14(3)18-12-26(4)6-5-15(18)8-16;1-4-26-11-16(9-23-26)27-20-19(21)22-10-18(24-20)15-7-13(2)17-12-25(3)6-5-14(17)8-15/h9-13,18H,3-8,14H2,1-2H3,(H2,24,25);7-11,13H,5-6,12H2,1-4H3,(H2,22,23);7-11H,4-6,12H2,1-3H3,(H2,21,22).

What are the key properties of 3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine?

3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine has a molecular weight of 1147.45 g/mol, XLogP of 10.75, 12 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-cyclopentylpyrazol-4-yl)oxy-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-ethylpyrazol-4-yl)oxypyrazin-2-amine;5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine is sourced from PubChem (CID 167609470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).