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

C88H73F3N18O7 — CID 158159567

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

11-(3,5-difluorophenyl)-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;8-ethyl-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;11-(2-fluoro-4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-2,7-dihydropyrazolo[4,3-f][2,7]naphthyridin-6-one (PubChem CID 158159567) has the molecular formula C88H73F3N18O7 and a molecular weight of 1551.66 g/mol. Its IUPAC name is 11-(3,5-difluorophenyl)-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;8-ethyl-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;11-(2-fluoro-4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-2,7-dihydropyrazolo[4,3-f][2,7]naphthyridin-6-one.

Molecular Properties

• Compound Name: 11-(3,5-difluorophenyl)-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;8-ethyl-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;11-(2-fluoro-4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-2,7-dihydropyrazolo[4,3-f][2,7]naphthyridin-6-one
• PubChem CID: 158159567
• Molecular Formula: C88H73F3N18O7
• Molecular Weight: 1551.66 g/mol
• Exact Mass: 1550.59
• IUPAC Name: 11-(3,5-difluorophenyl)-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;8-ethyl-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;11-(2-fluoro-4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-2,7-dihydropyrazolo[4,3-f][2,7]naphthyridin-6-one
• SMILES: CCn1c(=O)c2c(-c3ccc(O)cc3)nc3n[nH]c(C)c3c2c2ccc(N3CCCCC3)cc21.Cc1[nH]nc2nc(-c3cc(F)cc(F)c3)c3c(=O)[nH]c4cc(N5CCCCC5)ccc4c3c12.Cc1[nH]nc2nc(-c3ccc(O)cc3)c3c(=O)[nH]ccc3c12.Cc1[nH]nc2nc(-c3ccc(O)cc3F)c3c(=O)[nH]c4ccccc4c3c12
• InChI: InChI=1S/C27H27N5O2.C25H21F2N5O.C20H13FN4O2.C16H12N4O2/c1-3-32-21-15-18(31-13-5-4-6-14-31)9-12-20(21)23-22-16(2)29-30-26(22)28-25(24(23)27(32)34)17-7-10-19(33)11-8-17;1-13-20-21-18-6-5-17(32-7-3-2-4-8-32)12-19(18)28-25(33)22(21)23(29-24(20)31-30-13)14-9-15(26)11-16(27)10-14;1-9-15-16-12-4-2-3-5-14(12)22-20(27)17(16)18(23-19(15)25-24-9)11-7-6-10(26)8-13(11)21;1-8-12-11-6-7-17-16(22)13(11)14(18-15(12)20-19-8)9-2-4-10(21)5-3-9/h7-12,15,33H,3-6,13-14H2,1-2H3,(H,28,29,30);5-6,9-12H,2-4,7-8H2,1H3,(H,28,33)(H,29,30,31);2-8,26H,1H3,(H,22,27)(H,23,24,25);2-7,21H,1H3,(H,17,22)(H,18,19,20)
• InChIKey: FWCJTJLMKCGLJC-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 354.03 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1551.66
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 11-(3,5-difluorophenyl)-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;8-ethyl-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;11-(2-fluoro-4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-2,7-dihydropyrazolo[4,3-f][2,7]naphthyridin-6-one (CID 158159567) is 11-(3,5-difluorophenyl)-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;8-ethyl-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;11-(2-fluoro-4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-2,7-dihydropyrazolo[4,3-f][2,7]naphthyridin-6-one.

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

The canonical SMILES for 11-(3,5-difluorophenyl)-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;8-ethyl-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;11-(2-fluoro-4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-2,7-dihydropyrazolo[4,3-f][2,7]naphthyridin-6-one is CCn1c(=O)c2c(-c3ccc(O)cc3)nc3n[nH]c(C)c3c2c2ccc(N3CCCCC3)cc21.Cc1[nH]nc2nc(-c3cc(F)cc(F)c3)c3c(=O)[nH]c4cc(N5CCCCC5)ccc4c3c12.Cc1[nH]nc2nc(-c3ccc(O)cc3)c3c(=O)[nH]ccc3c12.Cc1[nH]nc2nc(-c3ccc(O)cc3F)c3c(=O)[nH]c4ccccc4c3c12.

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

The InChIKey is FWCJTJLMKCGLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2.C25H21F2N5O.C20H13FN4O2.C16H12N4O2/c1-3-32-21-15-18(31-13-5-4-6-14-31)9-12-20(21)23-22-16(2)29-30-26(22)28-25(24(23)27(32)34)17-7-10-19(33)11-8-17;1-13-20-21-18-6-5-17(32-7-3-2-4-8-32)12-19(18)28-25(33)22(21)23(29-24(20)31-30-13)14-9-15(26)11-16(27)10-14;1-9-15-16-12-4-2-3-5-14(12)22-20(27)17(16)18(23-19(15)25-24-9)11-7-6-10(26)8-13(11)21;1-8-12-11-6-7-17-16(22)13(11)14(18-15(12)20-19-8)9-2-4-10(21)5-3-9/h7-12,15,33H,3-6,13-14H2,1-2H3,(H,28,29,30);5-6,9-12H,2-4,7-8H2,1H3,(H,28,33)(H,29,30,31);2-8,26H,1H3,(H,22,27)(H,23,24,25);2-7,21H,1H3,(H,17,22)(H,18,19,20).

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

11-(3,5-difluorophenyl)-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;8-ethyl-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;11-(2-fluoro-4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-2,7-dihydropyrazolo[4,3-f][2,7]naphthyridin-6-one has a molecular weight of 1551.66 g/mol, XLogP of 16.57, 7 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(3,5-difluorophenyl)-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;8-ethyl-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;11-(2-fluoro-4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;5-(4-hydroxyphenyl)-1-methyl-2,7-dihydropyrazolo[4,3-f][2,7]naphthyridin-6-one is sourced from PubChem (CID 158159567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).