bis(3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine);5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

C71H88N18O6 — CID 167557560

About bis(3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine);5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

bis(3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine);5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167557560) has the molecular formula C71H88N18O6 and a molecular weight of 1289.60 g/mol. Its IUPAC name is bis(3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine);5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

• Compound Name: bis(3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine);5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167557560
• Molecular Formula: C71H88N18O6
• Molecular Weight: 1289.60 g/mol
• Exact Mass: 1288.71
• IUPAC Name: bis(3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine);5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: CCOc1c(N)ncc(C)c1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.CCOc1c(N)ncc(C)c1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCOCC4)c3)n2)cc2c1CN(C)CC2
• InChI: InChI=1S/2C24H30N6O2.C23H28N6O2/c2*1-5-31-21-19(15(3)10-27-22(21)25)13-32-24-23(26)28-11-20(29-24)16-8-14(2)18-6-7-30(4)12-17(18)9-16;1-15-9-17(10-16-3-6-28(2)14-20(15)16)21-12-25-22(24)23(27-21)31-19-11-26-29(13-19)18-4-7-30-8-5-18/h2*8-11H,5-7,12-13H2,1-4H3,(H2,25,27)(H2,26,28);9-13,18H,3-8,14H2,1-2H3,(H2,24,25)
• InChIKey: DFBZKCHZILWIDI-UHFFFAOYSA-N
• XLogP: 9.93
• TPSA: 316.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.60
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of bis(3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine);5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (CID 167557560) is bis(3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine);5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine.

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

The canonical SMILES for bis(3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine);5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is CCOc1c(N)ncc(C)c1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.CCOc1c(N)ncc(C)c1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCOCC4)c3)n2)cc2c1CN(C)CC2.

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

The InChIKey is DFBZKCHZILWIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H30N6O2.C23H28N6O2/c2*1-5-31-21-19(15(3)10-27-22(21)25)13-32-24-23(26)28-11-20(29-24)16-8-14(2)18-6-7-30(4)12-17(18)9-16;1-15-9-17(10-16-3-6-28(2)14-20(15)16)21-12-25-22(24)23(27-21)31-19-11-26-29(13-19)18-4-7-30-8-5-18/h2*8-11H,5-7,12-13H2,1-4H3,(H2,25,27)(H2,26,28);9-13,18H,3-8,14H2,1-2H3,(H2,24,25).

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

bis(3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine);5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 1289.60 g/mol, XLogP of 9.93, 16 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine);5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[1-(oxan-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167557560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).