1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline

C17H12ClFN4O — CID 73387860

IUPAC1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline
SMILESCOc1cc(F)c2nnc3c(c(-c4ccccc4Cl)nn3C)c2c1
InChIInChI=1S/C17H12ClFN4O/c1-23-17-14(16(22-23)10-5-3-4-6-12(10)18)11-7-9(24-2)8-13(19)15(11)20-21-17/h3-8H,1-2H3
InChIKeyGGJRGPLWGXGDJD-UHFFFAOYSA-N
MW342.76 g/mol
LogP3.98
Rot. Bonds2

About 1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline

1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline (PubChem CID 73387860) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline
PubChem CID73387860
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline
SMILESCOc1cc(F)c2nnc3c(c(-c4ccccc4Cl)nn3C)c2c1
InChIInChI=1S/C17H12ClFN4O/c1-23-17-14(16(22-23)10-5-3-4-6-12(10)18)11-7-9(24-2)8-13(19)15(11)20-21-17/h3-8H,1-2H3
InChIKeyGGJRGPLWGXGDJD-UHFFFAOYSA-N
XLogP3.98
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline
CID 90040145
18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene
CID 71145177
5-(2-chlorophenyl)-3-methyltriazole-4-carboxylic acid
CID 105499694
4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole
CID 91686434
1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 110173676
4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine
CID 158755731
2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 24684675
5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 175074764
4-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667822
6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-(2-fluoro-4-methoxyphenyl)-2-methylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667553
4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 165389177
4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine
CID 86717337

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline?
The IUPAC name of 1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline (CID 73387860) is 1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline.
What is the SMILES notation for 1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline?
The canonical SMILES for 1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline is COc1cc(F)c2nnc3c(c(-c4ccccc4Cl)nn3C)c2c1.
What is the InChIKey of 1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline?
The InChIKey is GGJRGPLWGXGDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c1-23-17-14(16(22-23)10-5-3-4-6-12(10)18)11-7-9(24-2)8-13(19)15(11)20-21-17/h3-8H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline?
1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline has a molecular weight of 342.76 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline is sourced from PubChem (CID 73387860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).