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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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).