3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

C130H148Cl5N23O7 — CID 167644325

About 3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (PubChem CID 167644325) has the molecular formula C130H148Cl5N23O7 and a molecular weight of 2322.03 g/mol. Its IUPAC name is 3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
• PubChem CID: 167644325
• Molecular Formula: C130H148Cl5N23O7
• Molecular Weight: 2322.03 g/mol
• Exact Mass: 2318.04
• IUPAC Name: 3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc4c3CCN(C)C4)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc4c3CCNC4)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc4c3CCOC4)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc4c3CCN(C)C4)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc4c3CCOC4)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C27H32ClN5O.2C26H30ClN5O.C26H29ClN4O2.C25H27ClN4O2/c1-16-11-19(12-20-15-33(4)9-7-21(16)20)24-13-30-26(29)27(31-24)34-17(2)25-22-8-10-32(3)14-18(22)5-6-23(25)28;1-16-10-18(11-19-14-32(3)8-6-20(16)19)24-12-29-25(28)26(30-24)33-15-22-21-7-9-31(2)13-17(21)4-5-23(22)27;1-15-10-18(11-19-14-32(3)9-7-20(15)19)23-13-30-25(28)26(31-23)33-16(2)24-21-6-8-29-12-17(21)4-5-22(24)27;1-15-10-18(11-19-13-31(3)8-6-20(15)19)23-12-29-25(28)26(30-23)33-16(2)24-21-7-9-32-14-17(21)4-5-22(24)27;1-15-9-17(10-18-12-30(2)7-5-19(15)18)23-11-28-24(27)25(29-23)32-14-21-20-6-8-31-13-16(20)3-4-22(21)26/h5-6,11-13,17H,7-10,14-15H2,1-4H3,(H2,29,30);4-5,10-12H,6-9,13-15H2,1-3H3,(H2,28,29);4-5,10-11,13,16,29H,6-9,12,14H2,1-3H3,(H2,28,30);4-5,10-12,16H,6-9,13-14H2,1-3H3,(H2,28,29);3-4,9-11H,5-8,12-14H2,1-2H3,(H2,27,28)
• InChIKey: PPZVJVHXPJPACZ-UHFFFAOYSA-N
• XLogP: 22.72
• TPSA: 358.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2322.03
LogP ≤ 5	22.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

The IUPAC name of 3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (CID 167644325) is 3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

What is the SMILES notation for 3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

The canonical SMILES for 3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc4c3CCN(C)C4)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc4c3CCNC4)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc4c3CCOC4)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc4c3CCN(C)C4)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc4c3CCOC4)n2)cc2c1CCN(C)C2.

What is the InChIKey of 3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

The InChIKey is PPZVJVHXPJPACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O.2C26H30ClN5O.C26H29ClN4O2.C25H27ClN4O2/c1-16-11-19(12-20-15-33(4)9-7-21(16)20)24-13-30-26(29)27(31-24)34-17(2)25-22-8-10-32(3)14-18(22)5-6-23(25)28;1-16-10-18(11-19-14-32(3)8-6-20(16)19)24-12-29-25(28)26(30-24)33-15-22-21-7-9-31(2)13-17(21)4-5-23(22)27;1-15-10-18(11-19-14-32(3)9-7-20(15)19)23-13-30-25(28)26(31-23)33-16(2)24-21-6-8-29-12-17(21)4-5-22(24)27;1-15-10-18(11-19-13-31(3)8-6-20(15)19)23-12-29-25(28)26(30-23)33-16(2)24-21-7-9-32-14-17(21)4-5-22(24)27;1-15-9-17(10-18-12-30(2)7-5-19(15)18)23-11-28-24(27)25(29-23)32-14-21-20-6-8-31-13-16(20)3-4-22(21)26/h5-6,11-13,17H,7-10,14-15H2,1-4H3,(H2,29,30);4-5,10-12H,6-9,13-15H2,1-3H3,(H2,28,29);4-5,10-11,13,16,29H,6-9,12,14H2,1-3H3,(H2,28,30);4-5,10-12,16H,6-9,13-14H2,1-3H3,(H2,28,29);3-4,9-11H,5-8,12-14H2,1-2H3,(H2,27,28).

What are the key properties of 3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine has a molecular weight of 2322.03 g/mol, XLogP of 22.72, 20 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is sourced from PubChem (CID 167644325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).