7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one

C109H108F5N25O5S — CID 160843192

About 7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one

7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 160843192) has the molecular formula C109H108F5N25O5S and a molecular weight of 1975.29 g/mol. Its IUPAC name is 7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 160843192
• Molecular Formula: C109H108F5N25O5S
• Molecular Weight: 1975.29 g/mol
• Exact Mass: 1973.86
• IUPAC Name: 7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: CN1CCCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1.Cc1cc2c(cc1N1CCN(C(C)C)CC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.O=c1c2cnc3cc(N4CCN(C5CCCC5)CC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1F.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccsc1
• InChI: InChI=1S/C25H26FN5O.C24H27N5O.C22H22FN5O.C20H17F2N5O.C18H16FN5OS/c26-21-14-19-22(15-23(21)30-12-10-29(11-13-30)17-6-4-5-7-17)27-16-20-24(19)28-31(25(20)32)18-8-2-1-3-9-18;1-16(2)27-9-11-28(12-10-27)22-14-21-19(13-17(22)3)23-20(15-25-21)24(30)29(26-23)18-7-5-4-6-8-18;1-26-8-5-9-27(11-10-26)20-13-19-16(12-18(20)23)21-17(14-24-19)22(29)28(25-21)15-6-3-2-4-7-15;21-14-3-1-2-4-17(14)27-20(28)13-11-24-16-10-18(26-7-5-23-6-8-26)15(22)9-12(16)19(13)25-27;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/h1-3,8-9,14-17,28H,4-7,10-13H2;4-8,13-16,26H,9-12H2,1-3H3;2-4,6-7,12-14,25H,5,8-11H2,1H3;1-4,9-11,23,25H,5-8H2;1,6-10,20,22H,2-5H2
• InChIKey: ULCVZLUZMKJTFN-UHFFFAOYSA-N
• XLogP: 15.96
• TPSA: 303.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1975.29
LogP ≤ 5	15.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 160843192) is 7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.

What is the SMILES notation for 7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The canonical SMILES for 7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is CN1CCCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1.Cc1cc2c(cc1N1CCN(C(C)C)CC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.O=c1c2cnc3cc(N4CCN(C5CCCC5)CC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1F.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccsc1.

What is the InChIKey of 7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The InChIKey is ULCVZLUZMKJTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O.C24H27N5O.C22H22FN5O.C20H17F2N5O.C18H16FN5OS/c26-21-14-19-22(15-23(21)30-12-10-29(11-13-30)17-6-4-5-7-17)27-16-20-24(19)28-31(25(20)32)18-8-2-1-3-9-18;1-16(2)27-9-11-28(12-10-27)22-14-21-19(13-17(22)3)23-20(15-25-21)24(30)29(26-23)18-7-5-4-6-8-18;1-26-8-5-9-27(11-10-26)20-13-19-16(12-18(20)23)21-17(14-24-19)22(29)28(25-21)15-6-3-2-4-7-15;21-14-3-1-2-4-17(14)27-20(28)13-11-24-16-10-18(26-7-5-23-6-8-26)15(22)9-12(16)19(13)25-27;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/h1-3,8-9,14-17,28H,4-7,10-13H2;4-8,13-16,26H,9-12H2,1-3H3;2-4,6-7,12-14,25H,5,8-11H2,1H3;1-4,9-11,23,25H,5-8H2;1,6-10,20,22H,2-5H2.

What are the key properties of 7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?

7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1975.29 g/mol, XLogP of 15.96, 12 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-cyclopentylpiperazin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-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;8-methyl-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 160843192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).