2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

C23H19N3O3 — CID 46696750

IUPAC2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1
InChIInChI=1S/C23H19N3O3/c1-16(27)15-29-23(28)19-12-21(18-10-6-3-7-11-18)25-22-20(19)13-24-26(22)14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3
InChIKeyZXUQFKZXUAJJGX-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.89
Rot. Bonds6

About 2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46696750) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID46696750
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1
InChIInChI=1S/C23H19N3O3/c1-16(27)15-29-23(28)19-12-21(18-10-6-3-7-11-18)25-22-20(19)13-24-26(22)14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3
InChIKeyZXUQFKZXUAJJGX-UHFFFAOYSA-N
XLogP3.89
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696785
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8897790
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46698273
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25499383
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495564
[2-(ethoxycarbonylamino)-2-oxoethyl] 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42011076
[1-(cyclopropylamino)-1-oxopropan-2-yl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46698171
1-benzyl-N-(2-methylsulfonylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535001
[4-(1,3,4-oxadiazol-2-yl)phenyl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 17455590
N,N-diethyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25336169
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693314

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of 2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 46696750) is 2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for 2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for 2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is CC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1.
What is the InChIKey of 2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is ZXUQFKZXUAJJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-16(27)15-29-23(28)19-12-21(18-10-6-3-7-11-18)25-22-20(19)13-24-26(22)14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3.
What are the key properties of 2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46696750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).