3-[(3-chloro-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine

C103H99ClFN21O4 — CID 167653146

About 3-[(3-chloro-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine

3-[(3-chloro-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine (PubChem CID 167653146) has the molecular formula C103H99ClFN21O4 and a molecular weight of 1749.52 g/mol. Its IUPAC name is 3-[(3-chloro-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[(3-chloro-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine
• PubChem CID: 167653146
• Molecular Formula: C103H99ClFN21O4
• Molecular Weight: 1749.52 g/mol
• Exact Mass: 1747.79
• IUPAC Name: 3-[(3-chloro-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(OCc3ccnc(C#Cc4ccc(F)cc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(C#Cc4ccncc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc4ccccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccncc3Cl)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C29H26FN5O.C28H26N6O.C25H25N5O.C21H22ClN5O/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;1-19-13-22(15-23-17-34(2)12-8-25(19)23)26-16-32-27(29)28(33-26)35-18-21-7-11-31-24(14-21)4-3-20-5-9-30-10-6-20;1-16-11-18(12-19-14-30(2)10-8-20(16)19)23-13-28-24(26)25(29-23)31-15-17-7-9-27-22-6-4-3-5-21(17)22;1-13-7-15(8-16-11-27(2)6-4-17(13)16)19-10-25-20(23)21(26-19)28-12-14-3-5-24-9-18(14)22/h3-4,6-7,9,11,13-16H,10,12,17-18H2,1-2H3,(H2,31,33);5-7,9-11,13-16H,8,12,17-18H2,1-2H3,(H2,29,32);3-7,9,11-13H,8,10,14-15H2,1-2H3,(H2,26,28);3,5,7-10H,4,6,11-12H2,1-2H3,(H2,23,25)
• InChIKey: QWGOSLVGCBHTOO-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 321.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1749.52
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[(3-chloro-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine (CID 167653146) is 3-[(3-chloro-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine.

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

The canonical SMILES for 3-[(3-chloro-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine is Cc1cc(-c2cnc(N)c(OCc3ccnc(C#Cc4ccc(F)cc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(C#Cc4ccncc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc4ccccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccncc3Cl)n2)cc2c1CCN(C)C2.

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

The InChIKey is QWGOSLVGCBHTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O.C28H26N6O.C25H25N5O.C21H22ClN5O/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;1-19-13-22(15-23-17-34(2)12-8-25(19)23)26-16-32-27(29)28(33-26)35-18-21-7-11-31-24(14-21)4-3-20-5-9-30-10-6-20;1-16-11-18(12-19-14-30(2)10-8-20(16)19)23-13-28-24(26)25(29-23)31-15-17-7-9-27-22-6-4-3-5-21(17)22;1-13-7-15(8-16-11-27(2)6-4-17(13)16)19-10-25-20(23)21(26-19)28-12-14-3-5-24-9-18(14)22/h3-4,6-7,9,11,13-16H,10,12,17-18H2,1-2H3,(H2,31,33);5-7,9-11,13-16H,8,12,17-18H2,1-2H3,(H2,29,32);3-7,9,11-13H,8,10,14-15H2,1-2H3,(H2,26,28);3,5,7-10H,4,6,11-12H2,1-2H3,(H2,23,25).

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

3-[(3-chloro-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine has a molecular weight of 1749.52 g/mol, XLogP of 16.12, 16 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-chloro-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-[[2-[2-(4-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine is sourced from PubChem (CID 167653146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).