2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C19H20FN5O3 — CID 53018545

IUPAC2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCOCC(=O)N1CCc2c(c(-c3nc(-c4ccc(F)cc4)no3)nn2C)C1
InChIInChI=1S/C19H20FN5O3/c1-3-27-11-16(26)25-9-8-15-14(10-25)17(22-24(15)2)19-21-18(23-28-19)12-4-6-13(20)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyQHOOUFFGKVOPBP-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.20
Rot. Bonds5

About 2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 53018545) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID53018545
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCOCC(=O)N1CCc2c(c(-c3nc(-c4ccc(F)cc4)no3)nn2C)C1
InChIInChI=1S/C19H20FN5O3/c1-3-27-11-16(26)25-9-8-15-14(10-25)17(22-24(15)2)19-21-18(23-28-19)12-4-6-13(20)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyQHOOUFFGKVOPBP-UHFFFAOYSA-N
XLogP2.20
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone 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 2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 53018545) is 2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CCOCC(=O)N1CCc2c(c(-c3nc(-c4ccc(F)cc4)no3)nn2C)C1.
What is the InChIKey of 2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is QHOOUFFGKVOPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-3-27-11-16(26)25-9-8-15-14(10-25)17(22-24(15)2)19-21-18(23-28-19)12-4-6-13(20)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 385.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 53018545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).