3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine

C80H85Cl3FN19O4 — CID 167606650

About 3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine

3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167606650) has the molecular formula C80H85Cl3FN19O4 and a molecular weight of 1502.05 g/mol. Its IUPAC name is 3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167606650
• Molecular Formula: C80H85Cl3FN19O4
• Molecular Weight: 1502.05 g/mol
• Exact Mass: 1499.61
• IUPAC Name: 3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: CCOc1cc(C(C)n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)c(Cl)cc1F.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)c4c(Cl)cccc4Cl)c3)n2)cc2c1CCN(C)C2.Cc1ccc(C(C)n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)cn1
• InChI: InChI=1S/C28H30ClFN6O2.C26H26Cl2N6O.C26H29N7O/c1-5-37-26-10-22(23(29)11-24(26)30)17(3)36-15-20(12-33-36)38-28-27(31)32-13-25(34-28)18-8-16(2)21-6-7-35(4)14-19(21)9-18;1-15-9-17(10-18-13-33(3)8-7-20(15)18)23-12-30-25(29)26(32-23)35-19-11-31-34(14-19)16(2)24-21(27)5-4-6-22(24)28;1-16-9-20(10-21-14-32(4)8-7-23(16)21)24-13-29-25(27)26(31-24)34-22-12-30-33(15-22)18(3)19-6-5-17(2)28-11-19/h8-13,15,17H,5-7,14H2,1-4H3,(H2,31,32);4-6,9-12,14,16H,7-8,13H2,1-3H3,(H2,29,30);5-6,9-13,15,18H,7-8,14H2,1-4H3,(H2,27,29)
• InChIKey: KLZIEYNRTGFIOR-UHFFFAOYSA-N
• XLogP: 16.06
• TPSA: 268.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1502.05
LogP ≤ 5	16.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine?

The IUPAC name of 3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine (CID 167606650) is 3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine.

What is the SMILES notation for 3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine?

The canonical SMILES for 3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine is CCOc1cc(C(C)n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)c(Cl)cc1F.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)c4c(Cl)cccc4Cl)c3)n2)cc2c1CCN(C)C2.Cc1ccc(C(C)n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)cn1.

What is the InChIKey of 3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is KLZIEYNRTGFIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClFN6O2.C26H26Cl2N6O.C26H29N7O/c1-5-37-26-10-22(23(29)11-24(26)30)17(3)36-15-20(12-33-36)38-28-27(31)32-13-25(34-28)18-8-16(2)21-6-7-35(4)14-19(21)9-18;1-15-9-17(10-18-13-33(3)8-7-20(15)18)23-12-30-25(29)26(32-23)35-19-11-31-34(14-19)16(2)24-21(27)5-4-6-22(24)28;1-16-9-20(10-21-14-32(4)8-7-23(16)21)24-13-29-25(27)26(31-24)34-22-12-30-33(15-22)18(3)19-6-5-17(2)28-11-19/h8-13,15,17H,5-7,14H2,1-4H3,(H2,31,32);4-6,9-12,14,16H,7-8,13H2,1-3H3,(H2,29,30);5-6,9-13,15,18H,7-8,14H2,1-4H3,(H2,27,29).

What are the key properties of 3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine?

3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 1502.05 g/mol, XLogP of 16.06, 17 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167606650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).