3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine

C123H123Cl2FN24O5 — CID 167690886

About 3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine

3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine (PubChem CID 167690886) has the molecular formula C123H123Cl2FN24O5 and a molecular weight of 2107.40 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine
• PubChem CID: 167690886
• Molecular Formula: C123H123Cl2FN24O5
• Molecular Weight: 2107.40 g/mol
• Exact Mass: 2104.95
• IUPAC Name: 3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(OCc3c(Cl)cccc3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccccc3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(C#Cc4ccc(F)cc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(C#Cc4cccnc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1
• InChI: InChI=1S/C29H26FN5O.C28H26N6O.C22H22Cl2N4O.C22H25N5O.C22H24N4O/c1-19-13-22(15-23-17-35(2)12-10-26(19)23)27-16-33-28(31)29(34-27)36-18-21-9-11-32-25(14-21)8-5-20-3-6-24(30)7-4-20;1-19-12-22(14-23-17-34(2)11-8-25(19)23)26-16-32-27(29)28(33-26)35-18-21-7-10-31-24(13-21)6-5-20-4-3-9-30-15-20;1-13-8-14(9-15-11-28(2)7-6-16(13)15)20-10-26-21(25)22(27-20)29-12-17-18(23)4-3-5-19(17)24;1-14-8-17(10-18-12-27(3)7-5-19(14)18)20-11-25-21(23)22(26-20)28-13-16-4-6-24-15(2)9-16;1-15-10-17(11-18-13-26(2)9-8-19(15)18)20-12-24-21(23)22(25-20)27-14-16-6-4-3-5-7-16/h3-4,6-7,9,11,13-16H,10,12,17-18H2,1-2H3,(H2,31,33);3-4,7,9-10,12-16H,8,11,17-18H2,1-2H3,(H2,29,32);3-5,8-10H,6-7,11-12H2,1-2H3,(H2,25,26);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,23,25);3-7,10-12H,8-9,13-14H2,1-2H3,(H2,23,24)
• InChIKey: WXQSRVBXISMLAK-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 372.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2107.40
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine?

The IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine (CID 167690886) is 3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine.

What is the SMILES notation for 3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine?

The canonical SMILES for 3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine is Cc1cc(-c2cnc(N)c(OCc3c(Cl)cccc3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccccc3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(C#Cc4ccc(F)cc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(C#Cc4cccnc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.

What is the InChIKey of 3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine?

The InChIKey is WXQSRVBXISMLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O.C28H26N6O.C22H22Cl2N4O.C22H25N5O.C22H24N4O/c1-19-13-22(15-23-17-35(2)12-10-26(19)23)27-16-33-28(31)29(34-27)36-18-21-9-11-32-25(14-21)8-5-20-3-6-24(30)7-4-20;1-19-12-22(14-23-17-34(2)11-8-25(19)23)26-16-32-27(29)28(33-26)35-18-21-7-10-31-24(13-21)6-5-20-4-3-9-30-15-20;1-13-8-14(9-15-11-28(2)7-6-16(13)15)20-10-26-21(25)22(27-20)29-12-17-18(23)4-3-5-19(17)24;1-14-8-17(10-18-12-27(3)7-5-19(14)18)20-11-25-21(23)22(26-20)28-13-16-4-6-24-15(2)9-16;1-15-10-17(11-18-13-26(2)9-8-19(15)18)20-12-24-21(23)22(25-20)27-14-16-6-4-3-5-7-16/h3-4,6-7,9,11,13-16H,10,12,17-18H2,1-2H3,(H2,31,33);3-4,7,9-10,12-16H,8,11,17-18H2,1-2H3,(H2,29,32);3-5,8-10H,6-7,11-12H2,1-2H3,(H2,25,26);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,23,25);3-7,10-12H,8-9,13-14H2,1-2H3,(H2,23,24).

What are the key properties of 3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine?

3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine has a molecular weight of 2107.40 g/mol, XLogP of 20.14, 20 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,6-dichlorophenyl)methoxy]-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine is sourced from PubChem (CID 167690886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).