3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine

C66H74N18O4S — CID 167584981

About 3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine

3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine (PubChem CID 167584981) has the molecular formula C66H74N18O4S and a molecular weight of 1215.51 g/mol. Its IUPAC name is 3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine
• PubChem CID: 167584981
• Molecular Formula: C66H74N18O4S
• Molecular Weight: 1215.51 g/mol
• Exact Mass: 1214.59
• IUPAC Name: 3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine
• SMILES: COc1cnc(N)cc1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(Oc3csc4c(N)nccc34)n2)cc2c1CCN(C)C2.Cc1cnc(N)cc1COc1nc(-c2cc(C)c3c(c2)CCN(C)C3)cnc1N
• InChI: InChI=1S/C22H26N6O2.C22H22N6OS.C22H26N6O/c1-13-6-14(7-15-11-28(2)5-4-17(13)15)18-9-26-21(24)22(27-18)30-12-16-8-20(23)25-10-19(16)29-3;1-12-7-13(8-14-10-28(2)6-4-15(12)14)17-9-26-21(24)22(27-17)29-18-11-30-19-16(18)3-5-25-20(19)23;1-13-6-16(7-15-4-5-28(3)11-18(13)15)19-10-26-21(24)22(27-19)29-12-17-8-20(23)25-9-14(17)2/h6-10H,4-5,11-12H2,1-3H3,(H2,23,25)(H2,24,26);3,5,7-9,11H,4,6,10H2,1-2H3,(H2,23,25)(H2,24,26);6-10H,4-5,11-12H2,1-3H3,(H2,23,25)(H2,24,26)
• InChIKey: HRIMZNJZBXOMBY-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 318.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1215.51
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine?

The IUPAC name of 3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine (CID 167584981) is 3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine.

What is the SMILES notation for 3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine?

The canonical SMILES for 3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine is COc1cnc(N)cc1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(Oc3csc4c(N)nccc34)n2)cc2c1CCN(C)C2.Cc1cnc(N)cc1COc1nc(-c2cc(C)c3c(c2)CCN(C)C3)cnc1N.

What is the InChIKey of 3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine?

The InChIKey is HRIMZNJZBXOMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2.C22H22N6OS.C22H26N6O/c1-13-6-14(7-15-11-28(2)5-4-17(13)15)18-9-26-21(24)22(27-18)30-12-16-8-20(23)25-10-19(16)29-3;1-12-7-13(8-14-10-28(2)6-4-15(12)14)17-9-26-21(24)22(27-17)29-18-11-30-19-16(18)3-5-25-20(19)23;1-13-6-16(7-15-4-5-28(3)11-18(13)15)19-10-26-21(24)22(27-19)29-12-17-8-20(23)25-9-14(17)2/h6-10H,4-5,11-12H2,1-3H3,(H2,23,25)(H2,24,26);3,5,7-9,11H,4,6,10H2,1-2H3,(H2,23,25)(H2,24,26);6-10H,4-5,11-12H2,1-3H3,(H2,23,25)(H2,24,26).

What are the key properties of 3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine?

3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine has a molecular weight of 1215.51 g/mol, XLogP of 9.48, 12 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine is sourced from PubChem (CID 167584981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).