5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide

C96H108N24O8 — CID 167694647

About 5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide

5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide (PubChem CID 167694647) has the molecular formula C96H108N24O8 and a molecular weight of 1726.08 g/mol. Its IUPAC name is 5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide
• PubChem CID: 167694647
• Molecular Formula: C96H108N24O8
• Molecular Weight: 1726.08 g/mol
• Exact Mass: 1724.88
• IUPAC Name: 5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide
• SMILES: CC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CCC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.Cc1cc(-c2cnc(N)c(OCc3ccnc(NC(=O)C4CC4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc4c3CCC(=O)N4)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C25H28N6O2.C24H26N6O2.C24H28N6O2.C23H26N6O2/c1-15-9-18(11-19-13-31(2)8-6-20(15)19)21-12-28-23(26)25(29-21)33-14-16-5-7-27-22(10-16)30-24(32)17-3-4-17;1-14-9-16(10-17-12-30(2)8-6-18(14)17)20-11-27-22(25)24(28-20)32-13-15-5-7-26-23-19(15)3-4-21(31)29-23;1-4-22(31)29-21-10-16(5-7-26-21)14-32-24-23(25)27-12-20(28-24)17-9-15(2)19-6-8-30(3)13-18(19)11-17;1-14-8-17(10-18-12-29(3)7-5-19(14)18)20-11-26-22(24)23(28-20)31-13-16-4-6-25-21(9-16)27-15(2)30/h5,7,9-12,17H,3-4,6,8,13-14H2,1-2H3,(H2,26,28)(H,27,30,32);5,7,9-11H,3-4,6,8,12-13H2,1-2H3,(H2,25,27)(H,26,29,31);5,7,9-12H,4,6,8,13-14H2,1-3H3,(H2,25,27)(H,26,29,31);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,24,26)(H,25,27,30)
• InChIKey: XLVCOCCVSPJUIW-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 425.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1726.08
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide?

The IUPAC name of 5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide (CID 167694647) is 5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide.

What is the SMILES notation for 5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide?

The canonical SMILES for 5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide is CC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CCC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.Cc1cc(-c2cnc(N)c(OCc3ccnc(NC(=O)C4CC4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc4c3CCC(=O)N4)n2)cc2c1CCN(C)C2.

What is the InChIKey of 5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide?

The InChIKey is XLVCOCCVSPJUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2.C24H26N6O2.C24H28N6O2.C23H26N6O2/c1-15-9-18(11-19-13-31(2)8-6-20(15)19)21-12-28-23(26)25(29-21)33-14-16-5-7-27-22(10-16)30-24(32)17-3-4-17;1-14-9-16(10-17-12-30(2)8-6-18(14)17)20-11-27-22(25)24(28-20)32-13-15-5-7-26-23-19(15)3-4-21(31)29-23;1-4-22(31)29-21-10-16(5-7-26-21)14-32-24-23(25)27-12-20(28-24)17-9-15(2)19-6-8-30(3)13-18(19)11-17;1-14-8-17(10-18-12-29(3)7-5-19(14)18)20-11-26-22(24)23(28-20)31-13-16-4-6-25-21(9-16)27-15(2)30/h5,7,9-12,17H,3-4,6,8,13-14H2,1-2H3,(H2,26,28)(H,27,30,32);5,7,9-11H,3-4,6,8,12-13H2,1-2H3,(H2,25,27)(H,26,29,31);5,7,9-12H,4,6,8,13-14H2,1-3H3,(H2,25,27)(H,26,29,31);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,24,26)(H,25,27,30).

What are the key properties of 5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide?

5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide has a molecular weight of 1726.08 g/mol, XLogP of 12.52, 21 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 167694647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).