methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate

C11H13N3O4 — CID 140830714

IUPACmethyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate
SMILESCCn1nc(C)c2[nH]c(=O)c(C(=O)OC)c(O)c21
InChIInChI=1S/C11H13N3O4/c1-4-14-8-7(5(2)13-14)12-10(16)6(9(8)15)11(17)18-3/h4H2,1-3H3,(H2,12,15,16)
InChIKeyCEOITKGLDDTWAG-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.55
Rot. Bonds2

About methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate

methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate (PubChem CID 140830714) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate
PubChem CID140830714
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Namemethyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate
SMILESCCn1nc(C)c2[nH]c(=O)c(C(=O)OC)c(O)c21
InChIInChI=1S/C11H13N3O4/c1-4-14-8-7(5(2)13-14)12-10(16)6(9(8)15)11(17)18-3/h4H2,1-3H3,(H2,12,15,16)
InChIKeyCEOITKGLDDTWAG-UHFFFAOYSA-N
XLogP0.55
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate (CID 140830714) is methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate is CCn1nc(C)c2[nH]c(=O)c(C(=O)OC)c(O)c21.
What is the InChIKey of methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate?
The InChIKey is CEOITKGLDDTWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-4-14-8-7(5(2)13-14)12-10(16)6(9(8)15)11(17)18-3/h4H2,1-3H3,(H2,12,15,16).
What are the key properties of methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate?
methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate has a molecular weight of 251.24 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 140830714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).