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

C67H51BrClN15O8 — CID 159450411

IUPAC7-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
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cn1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cn1
InChIInChI=1S/C18H15N3O2.C17H14N4O2.C16H11BrN4O2.C16H11ClN4O2/c1-11-3-8-14-16(9-11)19-10-15-17(14)20-21(18(15)22)12-4-6-13(23-2)7-5-12;1-10-3-5-12-14(7-10)18-9-13-16(12)20-21(17(13)22)11-4-6-15(23-2)19-8-11;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-6-9(17)2-4-11(13)15(12)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-4-2-9(17)6-11(13)15(12)20-21/h3-10,20H,1-2H3;3-9,20H,1-2H3;2*2-8,20H,1H3/i;;2*1D3
InChIKeyWKCXLPMFPQVUHG-MDIGBTQDSA-N
MW1315.64 g/mol
LogP11.72
Rot. Bonds10

About 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

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 (PubChem CID 159450411) has the molecular formula C67H51BrClN15O8 and a molecular weight of 1315.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID159450411
Molecular FormulaC67H51BrClN15O8
Molecular Weight1315.64 g/mol
Exact Mass1313.33
IUPAC Name7-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
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cn1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cn1
InChIInChI=1S/C18H15N3O2.C17H14N4O2.C16H11BrN4O2.C16H11ClN4O2/c1-11-3-8-14-16(9-11)19-10-15-17(14)20-21(18(15)22)12-4-6-13(23-2)7-5-12;1-10-3-5-12-14(7-10)18-9-13-16(12)20-21(17(13)22)11-4-6-15(23-2)19-8-11;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-6-9(17)2-4-11(13)15(12)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-4-2-9(17)6-11(13)15(12)20-21/h3-10,20H,1-2H3;3-9,20H,1-2H3;2*2-8,20H,1H3/i;;2*1D3
InChIKeyWKCXLPMFPQVUHG-MDIGBTQDSA-N
XLogP11.72
TPSA278.31 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001315.64
LogP ≤ 511.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157193192
7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157327962
7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157493989
7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157748507
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
7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158220233
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
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
7-bromo-2-(2-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-8-methyl-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one;2-(4-methoxyphenyl)-8-methyl-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one
CID 158514291
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-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 159206361

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cn1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cn1.
What is the InChIKey of 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?
The InChIKey is WKCXLPMFPQVUHG-MDIGBTQDSA-N. The full InChI is InChI=1S/C18H15N3O2.C17H14N4O2.C16H11BrN4O2.C16H11ClN4O2/c1-11-3-8-14-16(9-11)19-10-15-17(14)20-21(18(15)22)12-4-6-13(23-2)7-5-12;1-10-3-5-12-14(7-10)18-9-13-16(12)20-21(17(13)22)11-4-6-15(23-2)19-8-11;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-6-9(17)2-4-11(13)15(12)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-4-2-9(17)6-11(13)15(12)20-21/h3-10,20H,1-2H3;3-9,20H,1-2H3;2*2-8,20H,1H3/i;;2*1D3.
What are the key properties of 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?
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 has a molecular weight of 1315.64 g/mol, XLogP of 11.72, 10 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159450411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).