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

C12H15N3O3 — CID 136961827

IUPACmethyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCCn1ncc2c(=O)c(C(=O)OC)c[nH]c21
InChIInChI=1S/C12H15N3O3/c1-3-4-5-15-11-8(7-14-15)10(16)9(6-13-11)12(17)18-2/h6-7H,3-5H2,1-2H3,(H,13,16)
InChIKeyRQSJMXKCBORDSP-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.31
Rot. Bonds4

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

methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 136961827) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID136961827
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namemethyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCCn1ncc2c(=O)c(C(=O)OC)c[nH]c21
InChIInChI=1S/C12H15N3O3/c1-3-4-5-15-11-8(7-14-15)10(16)9(6-13-11)12(17)18-2/h6-7H,3-5H2,1-2H3,(H,13,16)
InChIKeyRQSJMXKCBORDSP-UHFFFAOYSA-N
XLogP1.31
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-pentylindazole-4-carboxylate
CID 90379283
5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135603504
6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 135782148
methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 102614521
dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate
CID 126633344
methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 102941642
butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135692701
methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
CID 102941635
methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 119084145
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
methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848812

Frequently Asked Questions

What is the IUPAC name of methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 136961827) is methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCCCn1ncc2c(=O)c(C(=O)OC)c[nH]c21.
What is the InChIKey of methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is RQSJMXKCBORDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-4-5-15-11-8(7-14-15)10(16)9(6-13-11)12(17)18-2/h6-7H,3-5H2,1-2H3,(H,13,16).
What are the key properties of methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 136961827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).