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

C20H21N3O4 — CID 31651531

IUPAC[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cnc3c(c2)c(C)nn3C)cc1
InChIInChI=1S/C20H21N3O4/c1-5-26-16-8-6-14(7-9-16)18(24)13(3)27-20(25)15-10-17-12(2)22-23(4)19(17)21-11-15/h6-11,13H,5H2,1-4H3/t13-/m1/s1
InChIKeyRRANDXNUYJWWQG-CYBMUJFWSA-N
MW367.41 g/mol
LogP3.10
Rot. Bonds6

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

[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 31651531) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID31651531
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cnc3c(c2)c(C)nn3C)cc1
InChIInChI=1S/C20H21N3O4/c1-5-26-16-8-6-14(7-9-16)18(24)13(3)27-20(25)15-10-17-12(2)22-23(4)19(17)21-11-15/h6-11,13H,5H2,1-4H3/t13-/m1/s1
InChIKeyRRANDXNUYJWWQG-CYBMUJFWSA-N
XLogP3.10
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 43051380
(1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46513865
[(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-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate
CID 45351914
[1-(1-adamantyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 42937468
[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 51868609
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2486684
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275153
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7760637
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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (CID 31651531) is [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cnc3c(c2)c(C)nn3C)cc1.
What is the InChIKey of [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is RRANDXNUYJWWQG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-5-26-16-8-6-14(7-9-16)18(24)13(3)27-20(25)15-10-17-12(2)22-23(4)19(17)21-11-15/h6-11,13H,5H2,1-4H3/t13-/m1/s1.
What are the key properties of [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 31651531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).