ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate

C15H14N4O3 — CID 135957256

IUPACethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(N)c2cnn(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C15H14N4O3/c1-2-22-15(21)11-12(16)10-8-17-19(13(10)18-14(11)20)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H3,16,18,20)
InChIKeyWVWQNFQTEITYNX-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.47
Rot. Bonds3

About ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate

ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135957256) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135957256
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Nameethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(N)c2cnn(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C15H14N4O3/c1-2-22-15(21)11-12(16)10-8-17-19(13(10)18-14(11)20)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H3,16,18,20)
InChIKeyWVWQNFQTEITYNX-UHFFFAOYSA-N
XLogP1.47
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 135854283
ethyl 4-amino-3-methylsulfanyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135440088
5-butyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135414794
ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135454820
4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137187360
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 10-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carboxylate
CID 53483485
ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
CID 15103621
ethyl 4-methyl-1-phenylpyrazole-5-carboxylate;4-methyl-1-phenylpyrazole-5-carboxylic acid
CID 161129346
5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135882048
ethyl (2R)-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanoate
CID 136801862
ethyl 4-formyl-1-phenylpyrazole-5-carboxylate
CID 112757155

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135957256) is ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(N)c2cnn(-c3ccccc3)c2[nH]c1=O.
What is the InChIKey of ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is WVWQNFQTEITYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-2-22-15(21)11-12(16)10-8-17-19(13(10)18-14(11)20)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H3,16,18,20).
What are the key properties of ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135957256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).