[3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid

C15H13FN4O3 — CID 123878971

IUPAC[3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid
SMILESCOc1ccc(-c2nn(C)c3ncc(NC(=O)O)cc23)cc1F
InChIInChI=1S/C15H13FN4O3/c1-20-14-10(6-9(7-17-14)18-15(21)22)13(19-20)8-3-4-12(23-2)11(16)5-8/h3-7,18H,1-2H3,(H,21,22)
InChIKeyZGQQERJPSRKMBF-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.87
Rot. Bonds3

About [3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid

[3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid (PubChem CID 123878971) has the molecular formula C15H13FN4O3 and a molecular weight of 316.29 g/mol. Its IUPAC name is [3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid.

Molecular Properties

Compound Name[3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid
PubChem CID123878971
Molecular FormulaC15H13FN4O3
Molecular Weight316.29 g/mol
Exact Mass316.10
IUPAC Name[3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid
SMILESCOc1ccc(-c2nn(C)c3ncc(NC(=O)O)cc23)cc1F
InChIInChI=1S/C15H13FN4O3/c1-20-14-10(6-9(7-17-14)18-15(21)22)13(19-20)8-3-4-12(23-2)11(16)5-8/h3-7,18H,1-2H3,(H,21,22)
InChIKeyZGQQERJPSRKMBF-UHFFFAOYSA-N
XLogP2.87
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 116858402
2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide
CID 18204947
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2,4-dimethoxybenzamide
CID 46538295
4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid
CID 82486252
methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55775470
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31520021
(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 134024985
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 18151329
N-[3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 170318313
1-tert-butyl-3-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 43324410
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]-1-methylurea
CID 86871289
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4,5-difluorobenzamide
CID 51334457

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid?
The IUPAC name of [3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid (CID 123878971) is [3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid.
What is the SMILES notation for [3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid?
The canonical SMILES for [3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid is COc1ccc(-c2nn(C)c3ncc(NC(=O)O)cc23)cc1F.
What is the InChIKey of [3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid?
The InChIKey is ZGQQERJPSRKMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3/c1-20-14-10(6-9(7-17-14)18-15(21)22)13(19-20)8-3-4-12(23-2)11(16)5-8/h3-7,18H,1-2H3,(H,21,22).
What are the key properties of [3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid?
[3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid has a molecular weight of 316.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid is sourced from PubChem (CID 123878971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).