2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C85H83ClFN19O5 — CID 158376384

IUPAC2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCC1CC(C)CN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)C1.CN1CCN(c2ccc3c(c2)ncc2c(=O)n(-c4ccccc4)[nH]c23)CC1.COc1ccc(-n2[nH]c3c(cnc4cc(N5CCNCC5)ccc43)c2=O)cc1.O=c1c2cnc3cc(N4CCNCC4)ccc3c2[nH]n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23FN4O.C21H21N5O2.C21H21N5O.C20H18ClN5O/c1-14-8-15(2)13-27(12-14)21-10-20-17(9-19(21)24)22-18(11-25-20)23(29)28(26-22)16-6-4-3-5-7-16;1-28-16-5-2-14(3-6-16)26-21(27)18-13-23-19-12-15(25-10-8-22-9-11-25)4-7-17(19)20(18)24-26;1-24-9-11-25(12-10-24)16-7-8-17-19(13-16)22-14-18-20(17)23-26(21(18)27)15-5-3-2-4-6-15;21-13-1-3-14(4-2-13)26-20(27)17-12-23-18-11-15(25-9-7-22-8-10-25)5-6-16(18)19(17)24-26/h3-7,9-11,14-15,26H,8,12-13H2,1-2H3;2-7,12-13,22,24H,8-11H2,1H3;2-8,13-14,23H,9-12H2,1H3;1-6,11-12,22,24H,7-10H2
InChIKeyDSKAJZIDNIGPRL-UHFFFAOYSA-N
MW1505.18 g/mol
LogP12.32
Rot. Bonds9

About 2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 158376384) has the molecular formula C85H83ClFN19O5 and a molecular weight of 1505.18 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID158376384
Molecular FormulaC85H83ClFN19O5
Molecular Weight1505.18 g/mol
Exact Mass1503.65
IUPAC Name2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCC1CC(C)CN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)C1.CN1CCN(c2ccc3c(c2)ncc2c(=O)n(-c4ccccc4)[nH]c23)CC1.COc1ccc(-n2[nH]c3c(cnc4cc(N5CCNCC5)ccc43)c2=O)cc1.O=c1c2cnc3cc(N4CCNCC4)ccc3c2[nH]n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23FN4O.C21H21N5O2.C21H21N5O.C20H18ClN5O/c1-14-8-15(2)13-27(12-14)21-10-20-17(9-19(21)24)22-18(11-25-20)23(29)28(26-22)16-6-4-3-5-7-16;1-28-16-5-2-14(3-6-16)26-21(27)18-13-23-19-12-15(25-10-8-22-9-11-25)4-7-17(19)20(18)24-26;1-24-9-11-25(12-10-24)16-7-8-17-19(13-16)22-14-18-20(17)23-26(21(18)27)15-5-3-2-4-6-15;21-13-1-3-14(4-2-13)26-20(27)17-12-23-18-11-15(25-9-7-22-8-10-25)5-6-16(18)19(17)24-26/h3-7,9-11,14-15,26H,8,12-13H2,1-2H3;2-7,12-13,22,24H,8-11H2,1H3;2-8,13-14,23H,9-12H2,1H3;1-6,11-12,22,24H,7-10H2
InChIKeyDSKAJZIDNIGPRL-UHFFFAOYSA-N
XLogP12.32
TPSA252.21 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001505.18
LogP ≤ 512.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one with MolForge

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Related Compounds

7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158468336
2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-fluorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 161820530
8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-morpholin-4-yl-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157074641
2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157571053
CID 157578902
CID 157578902
7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 157954042
8-bromo-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158274753
8-fluoro-2-(2-fluorophenyl)-7-(4-methylpiperazin-1-yl)-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;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158343203
N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
CID 158413085
8-chloro-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158850533
2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 159024853
7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 159450411

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 158376384) is 2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is CC1CC(C)CN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)C1.CN1CCN(c2ccc3c(c2)ncc2c(=O)n(-c4ccccc4)[nH]c23)CC1.COc1ccc(-n2[nH]c3c(cnc4cc(N5CCNCC5)ccc43)c2=O)cc1.O=c1c2cnc3cc(N4CCNCC4)ccc3c2[nH]n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is DSKAJZIDNIGPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O.C21H21N5O2.C21H21N5O.C20H18ClN5O/c1-14-8-15(2)13-27(12-14)21-10-20-17(9-19(21)24)22-18(11-25-20)23(29)28(26-22)16-6-4-3-5-7-16;1-28-16-5-2-14(3-6-16)26-21(27)18-13-23-19-12-15(25-10-8-22-9-11-25)4-7-17(19)20(18)24-26;1-24-9-11-25(12-10-24)16-7-8-17-19(13-16)22-14-18-20(17)23-26(21(18)27)15-5-3-2-4-6-15;21-13-1-3-14(4-2-13)26-20(27)17-12-23-18-11-15(25-9-7-22-8-10-25)5-6-16(18)19(17)24-26/h3-7,9-11,14-15,26H,8,12-13H2,1-2H3;2-7,12-13,22,24H,8-11H2,1H3;2-8,13-14,23H,9-12H2,1H3;1-6,11-12,22,24H,7-10H2.
What are the key properties of 2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1505.18 g/mol, XLogP of 12.32, 9 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 158376384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).