ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate

C16H14FN3O3 — CID 135650091

IUPACethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2-c1ccccc1F
InChIInChI=1S/C16H14FN3O3/c1-3-23-16(22)10-8-13(21)18-15-14(10)9(2)19-20(15)12-7-5-4-6-11(12)17/h4-8H,3H2,1-2H3,(H,18,21)
InChIKeyYADVXJXOTXJNOB-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.34
Rot. Bonds3

About ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 135650091) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID135650091
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Nameethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2-c1ccccc1F
InChIInChI=1S/C16H14FN3O3/c1-3-23-16(22)10-8-13(21)18-15-14(10)9(2)19-20(15)12-7-5-4-6-11(12)17/h4-8H,3H2,1-2H3,(H,18,21)
InChIKeyYADVXJXOTXJNOB-UHFFFAOYSA-N
XLogP2.34
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate
CID 135515084
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] benzoate
CID 4803443
1-(4-fluorophenyl)-3,4-dimethyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135648653
3-Cyclopropyl-1-(4-fluorophenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-B]pyridine-4-carboxylic acid
CID 167735086
1-(3-Fluorophenyl)-3-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 170916889
1-(2-fluorophenyl)-3-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135650100
1-(4-Fluorophenyl)-3-methyl-1,4,5,8-tetrahydropyrazolo[3,4-b]azepine-4,7-dicarboxylic acid
CID 138753480
methyl 4-((3-methyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl)benzoate
CID 44051569
ethyl 3-methyl-6-oxo-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 135650095
4-Ethyl-1-(4-fluorophenyl)-3-methyl-1H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
CID 135734246
5-{[(3-Ethoxypropyl)amino]methyl}-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[3,4-B]pyridin-6-one
CID 135802739
ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate
CID 135817217

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate (CID 135650091) is ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2-c1ccccc1F.
What is the InChIKey of ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is YADVXJXOTXJNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-3-23-16(22)10-8-13(21)18-15-14(10)9(2)19-20(15)12-7-5-4-6-11(12)17/h4-8H,3H2,1-2H3,(H,18,21).
What are the key properties of ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 315.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 135650091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).