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-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

C94H97Cl2N19O4 — CID 167613406

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-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-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 167613406) has the molecular formula C94H97Cl2N19O4 and a molecular weight of 1627.84 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-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-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: 167613406
• Molecular Formula: C94H97Cl2N19O4
• Molecular Weight: 1627.84 g/mol
• Exact Mass: 1625.73
• 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-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#Cc4cccnc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1
• InChI: InChI=1S/C28H26N6O.C22H22Cl2N4O.C22H25N5O.C22H24N4O/c1-19-12-22(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/h3-4,7,9-10,12-16H,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: LJOFVCOBKABEHM-UHFFFAOYSA-N
• XLogP: 15.60
• TPSA: 295.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1627.84
LogP ≤ 5	15.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

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-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-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 167613406) 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-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-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-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#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-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 LJOFVCOBKABEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O.C22H22Cl2N4O.C22H25N5O.C22H24N4O/c1-19-12-22(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/h3-4,7,9-10,12-16H,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-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-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 1627.84 g/mol, XLogP of 15.60, 16 rotatable bonds, 4 hydrogen bond donors, and 23 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-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 167613406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).