2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C19H19N3O3 — CID 8897790

IUPAC2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C
InChIInChI=1S/C19H19N3O3/c1-12(2)22-18-16(10-20-22)15(19(24)25-11-13(3)23)9-17(21-18)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3
InChIKeyQLAAEECHGHIZHM-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.42
Rot. Bonds5

About 2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 8897790) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID8897790
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C
InChIInChI=1S/C19H19N3O3/c1-12(2)22-18-16(10-20-22)15(19(24)25-11-13(3)23)9-17(21-18)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3
InChIKeyQLAAEECHGHIZHM-UHFFFAOYSA-N
XLogP3.42
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46538389
[2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8980481
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8980450
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8980412
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30800165
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43024203
[2-(2,6-dichloroanilino)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30800169
2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696750
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43024196
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30800134
methyl 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693200

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of 2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 8897790) is 2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for 2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for 2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C.
What is the InChIKey of 2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is QLAAEECHGHIZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(2)22-18-16(10-20-22)15(19(24)25-11-13(3)23)9-17(21-18)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 8897790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).