ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate

C10H11N3O3 — CID 131421085

IUPACethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-4-6-8(11-7)13(2)12-9(6)14/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyHSHZIUDTJSNBCE-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.44
Rot. Bonds2

About ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate

ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate (PubChem CID 131421085) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
PubChem CID131421085
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Nameethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-4-6-8(11-7)13(2)12-9(6)14/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyHSHZIUDTJSNBCE-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

diethyl 5-hydroxy-8-methyl-7-oxo-1,8-naphthyridine-2,6-dicarboxylate
CID 54690800
ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate
CID 82590214
diethyl 3-chloro-1H-pyrrolo[2,3-b]pyridine-2,6-dicarboxylate
CID 130338818
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656
ethyl 3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 58628329
ethyl 6-amino-5-chloropyridine-2-carboxylate
CID 138112595
ethyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 117272848
ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
CID 131439618
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696181
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
ethyl 3-phenyl-1-(2-phenylmethoxyethyl)pyrrolo[2,3-b]pyridine-6-carboxylate
CID 66795318
ethyl 6-bromo-5-chloropyridine-2-carboxylate
CID 46311447

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate (CID 131421085) is ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate is CCOC(=O)c1ccc2c(=O)[nH]n(C)c2n1.
What is the InChIKey of ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate?
The InChIKey is HSHZIUDTJSNBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-4-6-8(11-7)13(2)12-9(6)14/h4-5H,3H2,1-2H3,(H,12,14).
What are the key properties of ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate?
ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-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-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 131421085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).