4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

C71H89N19O5 — CID 167601332

About 4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167601332) has the molecular formula C71H89N19O5 and a molecular weight of 1288.62 g/mol. Its IUPAC name is 4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

• Compound Name: 4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167601332
• Molecular Formula: C71H89N19O5
• Molecular Weight: 1288.62 g/mol
• Exact Mass: 1287.73
• IUPAC Name: 4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: CCN1CC(n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)C1.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCC(C)(O)CC4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCOCC4)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C25H32N6O2.C23H29N7O.C23H28N6O2/c1-16-10-17(11-18-14-30(3)9-6-21(16)18)22-13-27-23(26)24(29-22)33-20-12-28-31(15-20)19-4-7-25(2,32)8-5-19;1-4-29-12-18(13-29)30-14-19(9-26-30)31-23-22(24)25-10-21(27-23)16-7-15(2)20-5-6-28(3)11-17(20)8-16;1-15-9-16(10-17-13-28(2)6-3-20(15)17)21-12-25-22(24)23(27-21)31-19-11-26-29(14-19)18-4-7-30-8-5-18/h10-13,15,19,32H,4-9,14H2,1-3H3,(H2,26,27);7-10,14,18H,4-6,11-13H2,1-3H3,(H2,24,25);9-12,14,18H,3-8,13H2,1-2H3,(H2,24,25)
• InChIKey: JTWLBCQZBJIJJP-UHFFFAOYSA-N
• XLogP: 10.13
• TPSA: 278.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1288.62
LogP ≤ 5	10.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The IUPAC name of 4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (CID 167601332) is 4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine.

What is the SMILES notation for 4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The canonical SMILES for 4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is CCN1CC(n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)C1.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCC(C)(O)CC4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCOCC4)c3)n2)cc2c1CCN(C)C2.

What is the InChIKey of 4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is JTWLBCQZBJIJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2.C23H29N7O.C23H28N6O2/c1-16-10-17(11-18-14-30(3)9-6-21(16)18)22-13-27-23(26)24(29-22)33-20-12-28-31(15-20)19-4-7-25(2,32)8-5-19;1-4-29-12-18(13-29)30-14-19(9-26-30)31-23-22(24)25-10-21(27-23)16-7-15(2)20-5-6-28(3)11-17(20)8-16;1-15-9-16(10-17-13-28(2)6-3-20(15)17)21-12-25-22(24)23(27-21)31-19-11-26-29(14-19)18-4-7-30-8-5-18/h10-13,15,19,32H,4-9,14H2,1-3H3,(H2,26,27);7-10,14,18H,4-6,11-13H2,1-3H3,(H2,24,25);9-12,14,18H,3-8,13H2,1-2H3,(H2,24,25).

What are the key properties of 4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 1288.62 g/mol, XLogP of 10.13, 13 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167601332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).