ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate

C19H20FN3O3 — CID 135817217

IUPACethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate
SMILESCCOC(=O)CCc1c(C)c2c(C)nn(-c3cccc(F)c3)c2[nH]c1=O
InChIInChI=1S/C19H20FN3O3/c1-4-26-16(24)9-8-15-11(2)17-12(3)22-23(18(17)21-19(15)25)14-7-5-6-13(20)10-14/h5-7,10H,4,8-9H2,1-3H3,(H,21,25)
InChIKeyUKMFHYAPFWXRPE-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.97
Rot. Bonds5

About ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate

ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate (PubChem CID 135817217) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate
PubChem CID135817217
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Nameethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate
SMILESCCOC(=O)CCc1c(C)c2c(C)nn(-c3cccc(F)c3)c2[nH]c1=O
InChIInChI=1S/C19H20FN3O3/c1-4-26-16(24)9-8-15-11(2)17-12(3)22-23(18(17)21-19(15)25)14-7-5-6-13(20)10-14/h5-7,10H,4,8-9H2,1-3H3,(H,21,25)
InChIKeyUKMFHYAPFWXRPE-UHFFFAOYSA-N
XLogP2.97
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate?
The IUPAC name of ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate (CID 135817217) is ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate.
What is the SMILES notation for ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate?
The canonical SMILES for ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate is CCOC(=O)CCc1c(C)c2c(C)nn(-c3cccc(F)c3)c2[nH]c1=O.
What is the InChIKey of ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate?
The InChIKey is UKMFHYAPFWXRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-4-26-16(24)9-8-15-11(2)17-12(3)22-23(18(17)21-19(15)25)14-7-5-6-13(20)10-14/h5-7,10H,4,8-9H2,1-3H3,(H,21,25).
What are the key properties of ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate?
ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate has a molecular weight of 357.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl]propanoate is sourced from PubChem (CID 135817217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).