7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid

C17H14N2O4 — CID 44550354

IUPAC7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCOC(=O)c1cccc2c(C(=O)O)c(-c3ccccc3)nn12
InChIInChI=1S/C17H14N2O4/c1-2-23-17(22)13-10-6-9-12-14(16(20)21)15(18-19(12)13)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,20,21)
InChIKeyVORTWYGEVNSJTH-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.88
Rot. Bonds4

About 7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid

7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 44550354) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID44550354
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCOC(=O)c1cccc2c(C(=O)O)c(-c3ccccc3)nn12
InChIInChI=1S/C17H14N2O4/c1-2-23-17(22)13-10-6-9-12-14(16(20)21)15(18-19(12)13)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,20,21)
InChIKeyVORTWYGEVNSJTH-UHFFFAOYSA-N
XLogP2.88
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 172615357
ethyl 2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 132601961
1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 20814936
ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate
CID 131437495
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride
CID 131710706
5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid
CID 10853649
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
ethyl 3-(4-fluorophenyl)-2-oxo-7-phenyl-4-sulfanylidene-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 136721353
ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
CID 7731874
ethyl 5-butan-2-yl-1,3-diphenylpyrazole-4-carboxylate
CID 102030318

Frequently Asked Questions

What is the IUPAC name of 7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 44550354) is 7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid is CCOC(=O)c1cccc2c(C(=O)O)c(-c3ccccc3)nn12.
What is the InChIKey of 7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is VORTWYGEVNSJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-2-23-17(22)13-10-6-9-12-14(16(20)21)15(18-19(12)13)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of 7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 44550354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).