6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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

C105H98F6N24O7S — CID 159088982

About 6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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

6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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 (PubChem CID 159088982) has the molecular formula C105H98F6N24O7S and a molecular weight of 1954.15 g/mol. Its IUPAC name is 6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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.

Molecular Properties

• Compound Name: 6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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
• PubChem CID: 159088982
• Molecular Formula: C105H98F6N24O7S
• Molecular Weight: 1954.15 g/mol
• Exact Mass: 1952.77
• IUPAC Name: 6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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
• SMILES: CN1CCN(c2c(F)cc3c(ncc4c(=O)n(-c5ccccc5)[nH]c43)c2F)CC1.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
• InChI: InChI=1S/C24H25N5O3.C21H19F2N5O.C21H18F2N4O.C20H18FN5O.C19H18FN5OS/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;1-26-7-9-27(10-8-26)20-16(22)11-14-18-15(12-24-19(14)17(20)23)21(29)28(25-18)13-5-3-2-4-6-13;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/h1-5,14-16,26H,6-13H2;2-6,11-12,25H,7-10H2,1H3;1-5,7,12,24H,6,8-11H2;1-7,12,22,24H,8-11H2;2,7-11,22H,3-6H2,1H3
• InChIKey: RGBCPFFGLOHOEZ-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 303.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1954.15
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

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-7-(4-methylpiperazin-1-yl)-2-phenyl-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?

The IUPAC name of 6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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 (CID 159088982) is 6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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.

What is the SMILES notation for 6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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?

The canonical SMILES for 6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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 is CN1CCN(c2c(F)cc3c(ncc4c(=O)n(-c5ccccc5)[nH]c43)c2F)CC1.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.

What is the InChIKey of 6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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?

The InChIKey is RGBCPFFGLOHOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3.C21H19F2N5O.C21H18F2N4O.C20H18FN5O.C19H18FN5OS/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;1-26-7-9-27(10-8-26)20-16(22)11-14-18-15(12-24-19(14)17(20)23)21(29)28(25-18)13-5-3-2-4-6-13;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/h1-5,14-16,26H,6-13H2;2-6,11-12,25H,7-10H2,1H3;1-5,7,12,24H,6,8-11H2;1-7,12,22,24H,8-11H2;2,7-11,22H,3-6H2,1H3.

What are the key properties of 6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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?

6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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 has a molecular weight of 1954.15 g/mol, XLogP of 13.28, 11 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-difluoro-7-(4-methylpiperazin-1-yl)-2-phenyl-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 is sourced from PubChem (CID 159088982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).