2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one

C21H20FN3O2S — CID 16671561

IUPAC2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(Cc1ccc(F)cc1)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C21H20FN3O2S/c22-16-7-5-15(6-8-16)13-21(27)24-11-1-3-17(24)14-25-20(26)10-9-18(23-25)19-4-2-12-28-19/h2,4-10,12,17H,1,3,11,13-14H2/t17-/m1/s1
InChIKeyUGPJPAGLJBXIAZ-QGZVFWFLSA-N
MW397.48 g/mol
LogP3.34
Rot. Bonds5

About 2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one

2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16671561) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID16671561
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(Cc1ccc(F)cc1)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C21H20FN3O2S/c22-16-7-5-15(6-8-16)13-21(27)24-11-1-3-17(24)14-25-20(26)10-9-18(23-25)19-4-2-12-28-19/h2,4-10,12,17H,1,3,11,13-14H2/t17-/m1/s1
InChIKeyUGPJPAGLJBXIAZ-QGZVFWFLSA-N
XLogP3.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one 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-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one (CID 16671561) is 2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one is O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is UGPJPAGLJBXIAZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c22-16-7-5-15(6-8-16)13-21(27)24-11-1-3-17(24)14-25-20(26)10-9-18(23-25)19-4-2-12-28-19/h2,4-10,12,17H,1,3,11,13-14H2/t17-/m1/s1.
What are the key properties of 2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 397.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16671561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).