6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one

C102H95F5N24O7S2 — CID 158329176

About 6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one

6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 158329176) has the molecular formula C102H95F5N24O7S2 and a molecular weight of 1928.17 g/mol. Its IUPAC name is 6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 158329176
• Molecular Formula: C102H95F5N24O7S2
• Molecular Weight: 1928.17 g/mol
• Exact Mass: 1926.72
• IUPAC Name: 6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: CN1CCN(c2cc3ncc4c(=O)n(-c5ccsc5)[nH]c4c3cc2F)CC1.O=C1C2=CCc3c(cc(F)c(N4CCNCC4)c3F)C2=NN1c1ccccc1.O=c1c2cnc3c(F)c(N4CCNCC4)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3c(N4CCOCC4)cc(N4CCOCC4)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccsc1
• InChI: InChI=1S/C24H25N5O3.C21H18F2N4O.C20H18FN5O.C19H18FN5OS.C18H16FN5OS/c30-24-20-16-25-23-19(22(20)26-29(24)17-4-2-1-3-5-17)14-18(27-6-10-31-11-7-27)15-21(23)28-8-12-32-13-9-28;22-17-12-16-14(18(23)20(17)26-10-8-24-9-11-26)6-7-15-19(16)25-27(21(15)28)13-4-2-1-3-5-13;21-17-16(25-10-8-22-9-11-25)7-6-14-18-15(12-23-19(14)17)20(27)26(24-18)13-4-2-1-3-5-13;1-23-3-5-24(6-4-23)17-9-16-13(8-15(17)20)18-14(10-21-16)19(26)25(22-18)12-2-7-27-11-12;19-14-7-12-15(8-16(14)23-4-2-20-3-5-23)21-9-13-17(12)22-24(18(13)25)11-1-6-26-10-11/h1-5,14-16,26H,6-13H2;1-5,7,12,24H,6,8-11H2;1-7,12,22,24H,8-11H2;2,7-11,22H,3-6H2,1H3;1,6-10,20,22H,2-5H2
• InChIKey: OUOICYZZVKPZOV-UHFFFAOYSA-N
• XLogP: 12.86
• TPSA: 312.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1928.17
LogP ≤ 5	12.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 158329176) is 6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

What is the SMILES notation for 6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

The canonical SMILES for 6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one is CN1CCN(c2cc3ncc4c(=O)n(-c5ccsc5)[nH]c4c3cc2F)CC1.O=C1C2=CCc3c(cc(F)c(N4CCNCC4)c3F)C2=NN1c1ccccc1.O=c1c2cnc3c(F)c(N4CCNCC4)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3c(N4CCOCC4)cc(N4CCOCC4)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccsc1.

What is the InChIKey of 6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

The InChIKey is OUOICYZZVKPZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3.C21H18F2N4O.C20H18FN5O.C19H18FN5OS.C18H16FN5OS/c30-24-20-16-25-23-19(22(20)26-29(24)17-4-2-1-3-5-17)14-18(27-6-10-31-11-7-27)15-21(23)28-8-12-32-13-9-28;22-17-12-16-14(18(23)20(17)26-10-8-24-9-11-26)6-7-15-19(16)25-27(21(15)28)13-4-2-1-3-5-13;21-17-16(25-10-8-22-9-11-25)7-6-14-18-15(12-23-19(14)17)20(27)26(24-18)13-4-2-1-3-5-13;1-23-3-5-24(6-4-23)17-9-16-13(8-15(17)20)18-14(10-21-16)19(26)25(22-18)12-2-7-27-11-12;19-14-7-12-15(8-16(14)23-4-2-20-3-5-23)21-9-13-17(12)22-24(18(13)25)11-1-6-26-10-11/h1-5,14-16,26H,6-13H2;1-5,7,12,24H,6,8-11H2;1-7,12,22,24H,8-11H2;2,7-11,22H,3-6H2,1H3;1,6-10,20,22H,2-5H2.

What are the key properties of 6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1928.17 g/mol, XLogP of 12.86, 11 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-difluoro-2-phenyl-7-piperazin-1-yl-5H-benzo[g]indazol-3-one;6,8-dimorpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-piperazin-1-yl-2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 158329176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).