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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

C116H128F2N30O8 — CID 167540375

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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (PubChem CID 167540375) has the molecular formula C116H128F2N30O8 and a molecular weight of 2108.50 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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
• PubChem CID: 167540375
• Molecular Formula: C116H128F2N30O8
• Molecular Weight: 2108.50 g/mol
• Exact Mass: 2107.05
• 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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(OC(C)(C)c3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(F)(F)c3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(NC(=O)C4CC4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc4c3CC(=O)N4)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc4c3CCC(=O)N4)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C25H28N6O2.C24H26N6O2.C23H24N6O2.C23H28N6O.C21H22F2N6O/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;1-13-7-15(8-16-11-29(2)6-4-17(13)16)19-10-26-21(24)23(27-19)31-12-14-3-5-25-22-18(14)9-20(30)28-22;1-14-9-15(10-16-13-29(4)8-6-18(14)16)19-12-27-21(25)22(28-19)30-23(2,3)17-5-7-26-20(24)11-17;1-12-7-13(8-14-11-29(2)6-4-16(12)14)17-10-27-19(25)20(28-17)30-21(22,23)15-3-5-26-18(24)9-15/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);3,5,7-8,10H,4,6,9,11-12H2,1-2H3,(H2,24,26)(H,25,28,30);5,7,9-12H,6,8,13H2,1-4H3,(H2,24,26)(H2,25,27);3,5,7-10H,4,6,11H2,1-2H3,(H2,24,26)(H2,25,27)
• InChIKey: BCLGQUSTEDNUGP-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 525.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2108.50
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (CID 167540375) 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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is Cc1cc(-c2cnc(N)c(OC(C)(C)c3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(F)(F)c3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(NC(=O)C4CC4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc4c3CC(=O)N4)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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

The InChIKey is BCLGQUSTEDNUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2.C24H26N6O2.C23H24N6O2.C23H28N6O.C21H22F2N6O/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;1-13-7-15(8-16-11-29(2)6-4-17(13)16)19-10-26-21(24)23(27-19)31-12-14-3-5-25-22-18(14)9-20(30)28-22;1-14-9-15(10-16-13-29(4)8-6-18(14)16)19-12-27-21(25)22(28-19)30-23(2,3)17-5-7-26-20(24)11-17;1-12-7-13(8-14-11-29(2)6-4-16(12)14)17-10-27-19(25)20(28-17)30-21(22,23)15-3-5-26-18(24)9-15/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);3,5,7-8,10H,4,6,9,11-12H2,1-2H3,(H2,24,26)(H,25,28,30);5,7,9-12H,6,8,13H2,1-4H3,(H2,24,26)(H2,25,27);3,5,7-10H,4,6,11H2,1-2H3,(H2,24,26)(H2,25,27).

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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine has a molecular weight of 2108.50 g/mol, XLogP of 15.16, 22 rotatable bonds, 10 hydrogen bond donors, and 35 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;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclopropanecarboxamide;3-[(2-amino-4-pyridinyl)-difluoromethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[2-(2-amino-4-pyridinyl)propan-2-yloxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is sourced from PubChem (CID 167540375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).