2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one

C22H22FN3O3 — CID 44513640

IUPAC2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one
SMILESO=C(COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)CC2)cc1)N1CCCC1
InChIInChI=1S/C22H22FN3O3/c23-17-5-7-18(8-6-17)26-21(27)12-11-20(24-26)16-3-9-19(10-4-16)29-15-22(28)25-13-1-2-14-25/h3-10H,1-2,11-15H2
InChIKeyUSPKYCISANQKIB-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.36
Rot. Bonds5

About 2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one

2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one (PubChem CID 44513640) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one
PubChem CID44513640
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one
SMILESO=C(COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)CC2)cc1)N1CCCC1
InChIInChI=1S/C22H22FN3O3/c23-17-5-7-18(8-6-17)26-21(27)12-11-20(24-26)16-3-9-19(10-4-16)29-15-22(28)25-13-1-2-14-25/h3-10H,1-2,11-15H2
InChIKeyUSPKYCISANQKIB-UHFFFAOYSA-N
XLogP3.36
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one (CID 44513640) is 2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one is O=C(COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)CC2)cc1)N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one?
The InChIKey is USPKYCISANQKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-17-5-7-18(8-6-17)26-21(27)12-11-20(24-26)16-3-9-19(10-4-16)29-15-22(28)25-13-1-2-14-25/h3-10H,1-2,11-15H2.
What are the key properties of 2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one?
2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one has a molecular weight of 395.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 44513640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).