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

C63H71N17O3 — CID 167567750

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

3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;3-[dideuterio(pyridin-4-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (PubChem CID 167567750) has the molecular formula C63H71N17O3 and a molecular weight of 1120.41 g/mol. Its IUPAC name is 3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;3-[dideuterio(pyridin-4-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;3-[dideuterio(pyridin-4-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
• PubChem CID: 167567750
• Molecular Formula: C63H71N17O3
• Molecular Weight: 1120.41 g/mol
• Exact Mass: 1119.63
• IUPAC Name: 3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;3-[dideuterio(pyridin-4-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
• SMILES: [2H]C([2H])(Oc1nc(-c2cc(C)c3c(c2)CCN(C)C3)cnc1N)c1ccnc(N)c1.[2H]C([2H])(Oc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N)c1ccnc(N)c1.[2H]C([2H])(Oc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N)c1ccncc1
• InChI: InChI=1S/2C21H24N6O.C21H23N5O/c1-13-7-15(9-16-11-27(2)6-4-17(13)16)18-10-25-20(23)21(26-18)28-12-14-3-5-24-19(22)8-14;1-13-7-16(9-15-4-6-27(2)11-17(13)15)18-10-25-20(23)21(26-18)28-12-14-3-5-24-19(22)8-14;1-14-9-16(10-17-12-26(2)8-5-18(14)17)19-11-24-20(22)21(25-19)27-13-15-3-6-23-7-4-15/h2*3,5,7-10H,4,6,11-12H2,1-2H3,(H2,22,24)(H2,23,25);3-4,6-7,9-11H,5,8,12-13H2,1-2H3,(H2,22,24)/i2*12D2;13D2
• InChIKey: FMSCVORSCCYJSX-YHAARBRRSA-N
• XLogP: 8.15
• TPSA: 283.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1120.41
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;3-[dideuterio(pyridin-4-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (CID 167567750) is 3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;3-[dideuterio(pyridin-4-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

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

The canonical SMILES for 3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;3-[dideuterio(pyridin-4-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is [2H]C([2H])(Oc1nc(-c2cc(C)c3c(c2)CCN(C)C3)cnc1N)c1ccnc(N)c1.[2H]C([2H])(Oc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N)c1ccnc(N)c1.[2H]C([2H])(Oc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N)c1ccncc1.

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

The InChIKey is FMSCVORSCCYJSX-YHAARBRRSA-N. The full InChI is InChI=1S/2C21H24N6O.C21H23N5O/c1-13-7-15(9-16-11-27(2)6-4-17(13)16)18-10-25-20(23)21(26-18)28-12-14-3-5-24-19(22)8-14;1-13-7-16(9-15-4-6-27(2)11-17(13)15)18-10-25-20(23)21(26-18)28-12-14-3-5-24-19(22)8-14;1-14-9-16(10-17-12-26(2)8-5-18(14)17)19-11-24-20(22)21(25-19)27-13-15-3-6-23-7-4-15/h2*3,5,7-10H,4,6,11-12H2,1-2H3,(H2,22,24)(H2,23,25);3-4,6-7,9-11H,5,8,12-13H2,1-2H3,(H2,22,24)/i2*12D2;13D2.

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

3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;3-[dideuterio(pyridin-4-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine has a molecular weight of 1120.41 g/mol, XLogP of 8.15, 12 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;3-[dideuterio(pyridin-4-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is sourced from PubChem (CID 167567750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).