6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine

C16H16FN3O — CID 169421254

IUPAC6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C)c3c(C)nn(C)c3n2)cc1F
InChIInChI=1S/C16H16FN3O/c1-9-7-13(11-5-6-14(21-4)12(17)8-11)18-16-15(9)10(2)19-20(16)3/h5-8H,1-4H3
InChIKeySAPDRJFVOMEUDQ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.40
Rot. Bonds2

About 6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine

6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine (PubChem CID 169421254) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine
PubChem CID169421254
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C)c3c(C)nn(C)c3n2)cc1F
InChIInChI=1S/C16H16FN3O/c1-9-7-13(11-5-6-14(21-4)12(17)8-11)18-16-15(9)10(2)19-20(16)3/h5-8H,1-4H3
InChIKeySAPDRJFVOMEUDQ-UHFFFAOYSA-N
XLogP3.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497805
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46517933
4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine
CID 116896805
1,3,4,6-tetramethylpyrazolo[5,4-b]pyridine
CID 2264673
6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 175964551
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621924
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858619
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
4-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidine-2-carboxamide
CID 116897045
6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297559
5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827395
N-[1-(2-methoxyphenyl)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42930632

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine (CID 169421254) is 6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine is COc1ccc(-c2cc(C)c3c(C)nn(C)c3n2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine?
The InChIKey is SAPDRJFVOMEUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-9-7-13(11-5-6-14(21-4)12(17)8-11)18-16-15(9)10(2)19-20(16)3/h5-8H,1-4H3.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine?
6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine has a molecular weight of 285.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 169421254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).