ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate

C9H9N3O3 — CID 154729406

IUPACethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2cn[nH]c2[nH]c1=O
InChIInChI=1S/C9H9N3O3/c1-2-15-9(14)6-3-5-4-10-12-7(5)11-8(6)13/h3-4H,2H2,1H3,(H2,10,11,12,13)
InChIKeyBBLLVLRQSUKBEJ-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.43
Rot. Bonds2

About ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate

ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 154729406) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID154729406
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Nameethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2cn[nH]c2[nH]c1=O
InChIInChI=1S/C9H9N3O3/c1-2-15-9(14)6-3-5-4-10-12-7(5)11-8(6)13/h3-4H,2H2,1H3,(H2,10,11,12,13)
InChIKeyBBLLVLRQSUKBEJ-UHFFFAOYSA-N
XLogP0.43
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate
CID 6501538
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
diethyl phthalazine-6,7-dicarboxylate
CID 13115748
ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate
CID 168862194
ethyl 6-methoxy-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 139542716
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate
CID 12901694
ethyl 2,5,8-trioxo-1H-quinoline-3-carboxylate
CID 121003181
ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate
CID 86692037

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate (CID 154729406) is ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate is CCOC(=O)c1cc2cn[nH]c2[nH]c1=O.
What is the InChIKey of ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is BBLLVLRQSUKBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-2-15-9(14)6-3-5-4-10-12-7(5)11-8(6)13/h3-4H,2H2,1H3,(H2,10,11,12,13).
What are the key properties of ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 207.19 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 154729406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).