3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

C127H130Cl5N25O6 — CID 167644991

About 3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (PubChem CID 167644991) has the molecular formula C127H130Cl5N25O6 and a molecular weight of 2279.87 g/mol. Its IUPAC name is 3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
• PubChem CID: 167644991
• Molecular Formula: C127H130Cl5N25O6
• Molecular Weight: 2279.87 g/mol
• Exact Mass: 2275.91
• IUPAC Name: 3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc4cnccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc4ncccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3cc(Cl)ncc3OC(C)C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc4cnccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc4ncccc34)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/2C26H26ClN5O.C25H30ClN5O2.2C25H24ClN5O/c1-15-10-18(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;1-15-11-17(12-18-14-32(3)10-8-19(15)18)23-13-30-25(28)26(31-23)33-16(2)24-20-5-4-9-29-22(20)7-6-21(24)27;1-14(2)32-22-12-28-23(26)10-20(22)16(4)33-25-24(27)29-11-21(30-25)17-8-15(3)19-6-7-31(5)13-18(19)9-17;1-15-9-17(10-18-13-31(2)8-6-19(15)18)23-12-29-24(27)25(30-23)32-14-21-20-5-7-28-11-16(20)3-4-22(21)26;1-15-10-16(11-17-13-31(2)9-7-18(15)17)23-12-29-24(27)25(30-23)32-14-20-19-4-3-8-28-22(19)6-5-21(20)26/h4-6,8,10-13,16H,7,9,14H2,1-3H3,(H2,28,30);4-7,9,11-13,16H,8,10,14H2,1-3H3,(H2,28,30);8-12,14,16H,6-7,13H2,1-5H3,(H2,27,29);3-5,7,9-12H,6,8,13-14H2,1-2H3,(H2,27,29);3-6,8,10-12H,7,9,13-14H2,1-2H3,(H2,27,29)
• InChIKey: PSUMIBQLBFPIFP-UHFFFAOYSA-N
• XLogP: 25.33
• TPSA: 395.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2279.87
LogP ≤ 5	25.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

The IUPAC name of 3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (CID 167644991) is 3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

What is the SMILES notation for 3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

The canonical SMILES for 3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc4cnccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc4ncccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3cc(Cl)ncc3OC(C)C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc4cnccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc4ncccc34)n2)cc2c1CCN(C)C2.

What is the InChIKey of 3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

The InChIKey is PSUMIBQLBFPIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26ClN5O.C25H30ClN5O2.2C25H24ClN5O/c1-15-10-18(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;1-15-11-17(12-18-14-32(3)10-8-19(15)18)23-13-30-25(28)26(31-23)33-16(2)24-20-5-4-9-29-22(20)7-6-21(24)27;1-14(2)32-22-12-28-23(26)10-20(22)16(4)33-25-24(27)29-11-21(30-25)17-8-15(3)19-6-7-31(5)13-18(19)9-17;1-15-9-17(10-18-13-31(2)8-6-19(15)18)23-12-29-24(27)25(30-23)32-14-21-20-5-7-28-11-16(20)3-4-22(21)26;1-15-10-16(11-17-13-31(2)9-7-18(15)17)23-12-29-24(27)25(30-23)32-14-20-19-4-3-8-28-22(19)6-5-21(20)26/h4-6,8,10-13,16H,7,9,14H2,1-3H3,(H2,28,30);4-7,9,11-13,16H,8,10,14H2,1-3H3,(H2,28,30);8-12,14,16H,6-7,13H2,1-5H3,(H2,27,29);3-5,7,9-12H,6,8,13-14H2,1-2H3,(H2,27,29);3-6,8,10-12H,7,9,13-14H2,1-2H3,(H2,27,29).

What are the key properties of 3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine has a molecular weight of 2279.87 g/mol, XLogP of 25.33, 22 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(6-chloroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroisoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-propan-2-yloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloroquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloroquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is sourced from PubChem (CID 167644991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).