3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine

C118H121Cl4F6N25O6 — CID 167612857

About 3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine

3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine (PubChem CID 167612857) has the molecular formula C118H121Cl4F6N25O6 and a molecular weight of 2241.23 g/mol. Its IUPAC name is 3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine
• PubChem CID: 167612857
• Molecular Formula: C118H121Cl4F6N25O6
• Molecular Weight: 2241.23 g/mol
• Exact Mass: 2237.86
• IUPAC Name: 3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine
• SMILES: CC#Cc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CNc1cc(-c2cnc(N)c(OCc3ccncc3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(C(F)(F)F)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc(C(F)(F)F)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(C#CC(=O)N(C)C)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C26H28N6O2.C24H23Cl2F3N4O.C24H25N5O.C23H21Cl2F3N4O.C21H24N6O/c1-17-11-19(13-20-15-32(4)10-8-22(17)20)23-14-29-25(27)26(30-23)34-16-18-7-9-28-21(12-18)5-6-24(33)31(2)3;1-12-8-14(9-15-11-33(3)7-6-16(12)15)19-10-31-22(30)23(32-19)34-13(2)20-18(25)5-4-17(21(20)26)24(27,28)29;1-4-5-20-11-17(6-8-26-20)15-30-24-23(25)27-13-22(28-24)18-10-16(2)21-7-9-29(3)14-19(21)12-18;1-12-7-13(8-14-10-32(2)6-5-15(12)14)19-9-30-21(29)22(31-19)33-11-16-18(24)4-3-17(20(16)25)23(26,27)28;1-23-18-10-15(9-16-12-27(2)8-5-17(16)18)19-11-25-20(22)21(26-19)28-13-14-3-6-24-7-4-14/h7,9,11-14H,8,10,15-16H2,1-4H3,(H2,27,29);4-5,8-10,13H,6-7,11H2,1-3H3,(H2,30,31);6,8,10-13H,7,9,14-15H2,1-3H3,(H2,25,27);3-4,7-9H,5-6,10-11H2,1-2H3,(H2,29,30);3-4,6-7,9-11,23H,5,8,12-13H2,1-2H3,(H2,22,25)
• InChIKey: LHVSBPBJQYSLSP-UHFFFAOYSA-N
• XLogP: 20.95
• TPSA: 392.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2241.23
LogP ≤ 5	20.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine?

The IUPAC name of 3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine (CID 167612857) is 3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine.

What is the SMILES notation for 3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine?

The canonical SMILES for 3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine is CC#Cc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CNc1cc(-c2cnc(N)c(OCc3ccncc3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(C(F)(F)F)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc(C(F)(F)F)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(C#CC(=O)N(C)C)c3)n2)cc2c1CCN(C)C2.

What is the InChIKey of 3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine?

The InChIKey is LHVSBPBJQYSLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2.C24H23Cl2F3N4O.C24H25N5O.C23H21Cl2F3N4O.C21H24N6O/c1-17-11-19(13-20-15-32(4)10-8-22(17)20)23-14-29-25(27)26(30-23)34-16-18-7-9-28-21(12-18)5-6-24(33)31(2)3;1-12-8-14(9-15-11-33(3)7-6-16(12)15)19-10-31-22(30)23(32-19)34-13(2)20-18(25)5-4-17(21(20)26)24(27,28)29;1-4-5-20-11-17(6-8-26-20)15-30-24-23(25)27-13-22(28-24)18-10-16(2)21-7-9-29(3)14-19(21)12-18;1-12-7-13(8-14-10-32(2)6-5-15(12)14)19-9-30-21(29)22(31-19)33-11-16-18(24)4-3-17(20(16)25)23(26,27)28;1-23-18-10-15(9-16-12-27(2)8-5-17(16)18)19-11-25-20(22)21(26-19)28-13-14-3-6-24-7-4-14/h7,9,11-14H,8,10,15-16H2,1-4H3,(H2,27,29);4-5,8-10,13H,6-7,11H2,1-3H3,(H2,30,31);6,8,10-13H,7,9,14-15H2,1-3H3,(H2,25,27);3-4,7-9H,5-6,10-11H2,1-2H3,(H2,29,30);3-4,6-7,9-11,23H,5,8,12-13H2,1-2H3,(H2,22,25).

What are the key properties of 3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine?

3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine has a molecular weight of 2241.23 g/mol, XLogP of 20.95, 21 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]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-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine is sourced from PubChem (CID 167612857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).