5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one

C89H78F3N15O7 — CID 159060189

About 5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one

5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one (PubChem CID 159060189) has the molecular formula C89H78F3N15O7 and a molecular weight of 1526.69 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one.

Molecular Properties

• Compound Name: 5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one
• PubChem CID: 159060189
• Molecular Formula: C89H78F3N15O7
• Molecular Weight: 1526.69 g/mol
• Exact Mass: 1525.62
• IUPAC Name: 5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one
• SMILES: CCOc1cc(F)cc(-c2nc3[nH]cc(C)c3c3c2c(=O)n(CC)c2cc(N4CCCCC4)ccc32)c1.Cc1[nH]nc2nc(-c3ccc(O)cc3)c3c(=O)[nH]c4cc(N5CCCCC5)ccc4c3c12.Cc1c[nH]c2nc(-c3cc(F)cc(F)c3)c3c(=O)[nH]ccc3c12.Cc1c[nH]c2nc(-c3ccc(O)cc3)c3c(=O)[nH]ccc3c12
• InChI: InChI=1S/C30H31FN4O2.C25H23N5O2.C17H11F2N3O.C17H13N3O2/c1-4-35-24-16-21(34-11-7-6-8-12-34)9-10-23(24)26-25-18(3)17-32-29(25)33-28(27(26)30(35)36)19-13-20(31)15-22(14-19)37-5-2;1-14-20-21-18-10-7-16(30-11-3-2-4-12-30)13-19(18)26-25(32)22(21)23(27-24(20)29-28-14)15-5-8-17(31)9-6-15;1-8-7-21-16-13(8)12-2-3-20-17(23)14(12)15(22-16)9-4-10(18)6-11(19)5-9;1-9-8-19-16-13(9)12-6-7-18-17(22)14(12)15(20-16)10-2-4-11(21)5-3-10/h9-10,13-17H,4-8,11-12H2,1-3H3,(H,32,33);5-10,13,31H,2-4,11-12H2,1H3,(H,26,32)(H,27,28,29);2-7H,1H3,(H,20,23)(H,21,22);2-8,21H,1H3,(H,18,22)(H,19,20)
• InChIKey: JYJFULFMIYNRTN-UHFFFAOYSA-N
• XLogP: 17.92
• TPSA: 304.36 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1526.69
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one?

The IUPAC name of 5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one (CID 159060189) is 5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one.

What is the SMILES notation for 5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one?

The canonical SMILES for 5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one is CCOc1cc(F)cc(-c2nc3[nH]cc(C)c3c3c2c(=O)n(CC)c2cc(N4CCCCC4)ccc32)c1.Cc1[nH]nc2nc(-c3ccc(O)cc3)c3c(=O)[nH]c4cc(N5CCCCC5)ccc4c3c12.Cc1c[nH]c2nc(-c3cc(F)cc(F)c3)c3c(=O)[nH]ccc3c12.Cc1c[nH]c2nc(-c3ccc(O)cc3)c3c(=O)[nH]ccc3c12.

What is the InChIKey of 5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one?

The InChIKey is JYJFULFMIYNRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O2.C25H23N5O2.C17H11F2N3O.C17H13N3O2/c1-4-35-24-16-21(34-11-7-6-8-12-34)9-10-23(24)26-25-18(3)17-32-29(25)33-28(27(26)30(35)36)19-13-20(31)15-22(14-19)37-5-2;1-14-20-21-18-10-7-16(30-11-3-2-4-12-30)13-19(18)26-25(32)22(21)23(27-24(20)29-28-14)15-5-8-17(31)9-6-15;1-8-7-21-16-13(8)12-2-3-20-17(23)14(12)15(22-16)9-4-10(18)6-11(19)5-9;1-9-8-19-16-13(9)12-6-7-18-17(22)14(12)15(20-16)10-2-4-11(21)5-3-10/h9-10,13-17H,4-8,11-12H2,1-3H3,(H,32,33);5-10,13,31H,2-4,11-12H2,1H3,(H,26,32)(H,27,28,29);2-7H,1H3,(H,20,23)(H,21,22);2-8,21H,1H3,(H,18,22)(H,19,20).

What are the key properties of 5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one?

5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one has a molecular weight of 1526.69 g/mol, XLogP of 17.92, 9 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-difluorophenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(3-ethoxy-5-fluorophenyl)-8-ethyl-16-methyl-5-piperidin-1-yl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-3,7-dihydropyrrolo[3,2-f][2,7]naphthyridin-6-one;11-(4-hydroxyphenyl)-16-methyl-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one is sourced from PubChem (CID 159060189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).