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

C127H135Cl4N25O9 — CID 167660058

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

3-[1-(2-chloro-5-cyclopropyloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-cyclopropyloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-phenoxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-phenoxy-4-pyridinyl)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-[1-(3-methyl-4-pyridinyl)ethoxy]pyrazin-2-amine (PubChem CID 167660058) has the molecular formula C127H135Cl4N25O9 and a molecular weight of 2297.45 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-cyclopropyloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-cyclopropyloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-phenoxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-phenoxy-4-pyridinyl)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-[1-(3-methyl-4-pyridinyl)ethoxy]pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2-chloro-5-cyclopropyloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-cyclopropyloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-phenoxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-phenoxy-4-pyridinyl)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-[1-(3-methyl-4-pyridinyl)ethoxy]pyrazin-2-amine
• PubChem CID: 167660058
• Molecular Formula: C127H135Cl4N25O9
• Molecular Weight: 2297.45 g/mol
• Exact Mass: 2293.96
• IUPAC Name: 3-[1-(2-chloro-5-cyclopropyloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-cyclopropyloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-phenoxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-phenoxy-4-pyridinyl)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-[1-(3-methyl-4-pyridinyl)ethoxy]pyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(OC(C)c3cc(Cl)ncc3OC3CC3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3cc(Cl)ncc3Oc3ccccc3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3cc(Cl)ncc3OC3CC3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3cc(Cl)ncc3Oc3ccccc3)n2)cc2c1CCN(C)C2.Cc1cnccc1C(C)Oc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N
• InChI: InChI=1S/C28H28ClN5O2.C27H26ClN5O2.C25H28ClN5O2.C24H26ClN5O2.C23H27N5O/c1-17-11-19(12-20-16-34(3)10-9-22(17)20)24-14-32-27(30)28(33-24)35-18(2)23-13-26(29)31-15-25(23)36-21-7-5-4-6-8-21;1-17-10-18(11-19-15-33(2)9-8-22(17)19)23-13-31-26(29)27(32-23)34-16-20-12-25(28)30-14-24(20)35-21-6-4-3-5-7-21;1-14-8-16(9-17-13-31(3)7-6-19(14)17)21-11-29-24(27)25(30-21)32-15(2)20-10-23(26)28-12-22(20)33-18-4-5-18;1-14-7-15(8-16-12-30(2)6-5-19(14)16)20-10-28-23(26)24(29-20)31-13-17-9-22(25)27-11-21(17)32-18-3-4-18;1-14-9-17(10-18-13-28(4)8-6-20(14)18)21-12-26-22(24)23(27-21)29-16(3)19-5-7-25-11-15(19)2/h4-8,11-15,18H,9-10,16H2,1-3H3,(H2,30,32);3-7,10-14H,8-9,15-16H2,1-2H3,(H2,29,31);8-12,15,18H,4-7,13H2,1-3H3,(H2,27,29);7-11,18H,3-6,12-13H2,1-2H3,(H2,26,28);5,7,9-12,16H,6,8,13H2,1-4H3,(H2,24,26)
• InChIKey: RUYNFWSODPKUOI-UHFFFAOYSA-N
• XLogP: 24.25
• TPSA: 422.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 28
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2297.45
LogP ≤ 5	24.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[1-(2-chloro-5-cyclopropyloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-cyclopropyloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-phenoxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-phenoxy-4-pyridinyl)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-[1-(3-methyl-4-pyridinyl)ethoxy]pyrazin-2-amine (CID 167660058) is 3-[1-(2-chloro-5-cyclopropyloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-cyclopropyloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-phenoxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-phenoxy-4-pyridinyl)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-[1-(3-methyl-4-pyridinyl)ethoxy]pyrazin-2-amine.

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

The canonical SMILES for 3-[1-(2-chloro-5-cyclopropyloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-cyclopropyloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-phenoxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-phenoxy-4-pyridinyl)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-[1-(3-methyl-4-pyridinyl)ethoxy]pyrazin-2-amine is Cc1cc(-c2cnc(N)c(OC(C)c3cc(Cl)ncc3OC3CC3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3cc(Cl)ncc3Oc3ccccc3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3cc(Cl)ncc3OC3CC3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3cc(Cl)ncc3Oc3ccccc3)n2)cc2c1CCN(C)C2.Cc1cnccc1C(C)Oc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.

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

The InChIKey is RUYNFWSODPKUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5O2.C27H26ClN5O2.C25H28ClN5O2.C24H26ClN5O2.C23H27N5O/c1-17-11-19(12-20-16-34(3)10-9-22(17)20)24-14-32-27(30)28(33-24)35-18(2)23-13-26(29)31-15-25(23)36-21-7-5-4-6-8-21;1-17-10-18(11-19-15-33(2)9-8-22(17)19)23-13-31-26(29)27(32-23)34-16-20-12-25(28)30-14-24(20)35-21-6-4-3-5-7-21;1-14-8-16(9-17-13-31(3)7-6-19(14)17)21-11-29-24(27)25(30-21)32-15(2)20-10-23(26)28-12-22(20)33-18-4-5-18;1-14-7-15(8-16-12-30(2)6-5-19(14)16)20-10-28-23(26)24(29-20)31-13-17-9-22(25)27-11-21(17)32-18-3-4-18;1-14-9-17(10-18-13-28(4)8-6-20(14)18)21-12-26-22(24)23(27-21)29-16(3)19-5-7-25-11-15(19)2/h4-8,11-15,18H,9-10,16H2,1-3H3,(H2,30,32);3-7,10-14H,8-9,15-16H2,1-2H3,(H2,29,31);8-12,15,18H,4-7,13H2,1-3H3,(H2,27,29);7-11,18H,3-6,12-13H2,1-2H3,(H2,26,28);5,7,9-12,16H,6,8,13H2,1-4H3,(H2,24,26).

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

3-[1-(2-chloro-5-cyclopropyloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-cyclopropyloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-phenoxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-phenoxy-4-pyridinyl)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-[1-(3-methyl-4-pyridinyl)ethoxy]pyrazin-2-amine has a molecular weight of 2297.45 g/mol, XLogP of 24.25, 28 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2-chloro-5-cyclopropyloxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-cyclopropyloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-chloro-5-phenoxy-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-chloro-5-phenoxy-4-pyridinyl)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-[1-(3-methyl-4-pyridinyl)ethoxy]pyrazin-2-amine is sourced from PubChem (CID 167660058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).