ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate

C10H11N3O3 — CID 135692708

IUPACethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(cnn2C)c1=O
InChIInChI=1S/C10H11N3O3/c1-3-16-10(15)7-4-11-9-6(8(7)14)5-12-13(9)2/h4-5H,3H2,1-2H3,(H,11,14)
InChIKeyRZTWDNLANTZVNA-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.44
Rot. Bonds2

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

ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135692708) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135692708
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Nameethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(cnn2C)c1=O
InChIInChI=1S/C10H11N3O3/c1-3-16-10(15)7-4-11-9-6(8(7)14)5-12-13(9)2/h4-5H,3H2,1-2H3,(H,11,14)
InChIKeyRZTWDNLANTZVNA-UHFFFAOYSA-N
XLogP0.44
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 136961827
ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 54316935
ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 19374333
ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 824655
ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 69373567
ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 59242632
ethyl 4-oxo-8-propan-2-yl-1H-quinoline-3-carboxylate
CID 735355
ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 16740433
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 13217735
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315
ethyl 1-methyl-5-methylsulfonylpyrazole-4-carboxylate
CID 58486417

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135692708) is ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCOC(=O)c1c[nH]c2c(cnn2C)c1=O.
What is the InChIKey of ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is RZTWDNLANTZVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-16-10(15)7-4-11-9-6(8(7)14)5-12-13(9)2/h4-5H,3H2,1-2H3,(H,11,14).
What are the key properties of ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135692708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).