3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

C13H15N3O3 — CID 43051380

IUPAC3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCC(=O)C(C)OC(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C13H15N3O3/c1-7-11-5-10(6-14-12(11)16(4)15-7)13(18)19-9(3)8(2)17/h5-6,9H,1-4H3
InChIKeyPRCDBEZBAGNDET-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.41
Rot. Bonds3

About 3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 43051380) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID43051380
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCC(=O)C(C)OC(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C13H15N3O3/c1-7-11-5-10(6-14-12(11)16(4)15-7)13(18)19-9(3)8(2)17/h5-6,9H,1-4H3
InChIKeyPRCDBEZBAGNDET-UHFFFAOYSA-N
XLogP1.41
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46513865
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31651531
[1-(1-adamantyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 42937468
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 51868607
[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46513936
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942
[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 51868609
1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 71866323
[1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 42937467
[2-(diethylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46519914
2-(3,5-dimethylphenoxy)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 47019045
1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289

Frequently Asked Questions

What is the IUPAC name of 3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of 3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (CID 43051380) is 3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for 3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for 3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is CC(=O)C(C)OC(=O)c1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is PRCDBEZBAGNDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-11-5-10(6-14-12(11)16(4)15-7)13(18)19-9(3)8(2)17/h5-6,9H,1-4H3.
What are the key properties of 3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 43051380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).