(1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

C12H14N4O3 — CID 46513865

IUPAC(1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1nn(C)c2ncc(C(=O)OC(C)C(N)=O)cc12
InChIInChI=1S/C12H14N4O3/c1-6-9-4-8(5-14-11(9)16(3)15-6)12(18)19-7(2)10(13)17/h4-5,7H,1-3H3,(H2,13,17)
InChIKeyQPVBRZHHYHXBLG-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.31
Rot. Bonds3

About (1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

(1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 46513865) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID46513865
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name(1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1nn(C)c2ncc(C(=O)OC(C)C(N)=O)cc12
InChIInChI=1S/C12H14N4O3/c1-6-9-4-8(5-14-11(9)16(3)15-6)12(18)19-7(2)10(13)17/h4-5,7H,1-3H3,(H2,13,17)
InChIKeyQPVBRZHHYHXBLG-UHFFFAOYSA-N
XLogP0.31
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 43051380
[(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
[2-(diethylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46519914
[(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
2-(3,5-dimethylphenoxy)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 47019045
N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 107362564
[1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 42937467

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (CID 46513865) is (1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is Cc1nn(C)c2ncc(C(=O)OC(C)C(N)=O)cc12.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is QPVBRZHHYHXBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-6-9-4-8(5-14-11(9)16(3)15-6)12(18)19-7(2)10(13)17/h4-5,7H,1-3H3,(H2,13,17).
What are the key properties of (1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
(1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 46513865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).