2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one

C19H21FN4O3 — CID 72851466

IUPAC2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)N1CC(Oc2ccccc2F)C1
InChIInChI=1S/C19H21FN4O3/c20-16-5-1-2-6-17(16)27-15-11-23(12-15)19(26)13-24-18(25)9-14(10-21-24)22-7-3-4-8-22/h1-2,5-6,9-10,15H,3-4,7-8,11-13H2
InChIKeyZPOKKODHXPDOQJ-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.27
Rot. Bonds5

About 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 72851466) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID72851466
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)N1CC(Oc2ccccc2F)C1
InChIInChI=1S/C19H21FN4O3/c20-16-5-1-2-6-17(16)27-15-11-23(12-15)19(26)13-24-18(25)9-14(10-21-24)22-7-3-4-8-22/h1-2,5-6,9-10,15H,3-4,7-8,11-13H2
InChIKeyZPOKKODHXPDOQJ-UHFFFAOYSA-N
XLogP1.27
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methyl-1-piperazinyl)-2-(2-phenoxyethyl)-3(2H)-pyridazinone
CID 29105749
2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 28427607
5-{4-[(2,4-difluorophenoxy)acetyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 29219979
2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
CID 53200764
1-(3-chlorophenyl)-4-{[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]acetyl}piperazine
CID 53200793
methyl N-[(3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-propyl-1H-pyrazol-4-yl)carbonyl]glycinate
CID 53200812
N-[1-Ethyl-5-(morpholin-4-YL)-6-oxo-1,6-dihydropyridazin-4-YL]-2-(4-fluorophenoxy)acetamide
CID 53200851
2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)-3(2H)-pyridazinone
CID 56884717
2-(3-fluorophenoxy)-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70786634
5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3(2H)-one
CID 72876842
2-{2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl}-5,6-dimethylpyridazin-3(2H)-one
CID 90651450
2-(3-fluorophenoxy)-N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 96408794

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 72851466) is 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is O=C(Cn1ncc(N2CCCC2)cc1=O)N1CC(Oc2ccccc2F)C1.
What is the InChIKey of 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is ZPOKKODHXPDOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-16-5-1-2-6-17(16)27-15-11-23(12-15)19(26)13-24-18(25)9-14(10-21-24)22-7-3-4-8-22/h1-2,5-6,9-10,15H,3-4,7-8,11-13H2.
What are the key properties of 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 372.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72851466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).