4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one

C19H17FN4O3 — CID 162507624

IUPAC4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(-c2cnc(Oc3ccccc3F)nc2)ccnn1C1CCCCO1
InChIInChI=1S/C19H17FN4O3/c20-15-5-1-2-6-16(15)27-19-21-11-13(12-22-19)14-8-9-23-24(18(14)25)17-7-3-4-10-26-17/h1-2,5-6,8-9,11-12,17H,3-4,7,10H2
InChIKeyUNVIQDGOLWTMDI-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.33
Rot. Bonds4

About 4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one

4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 162507624) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one
PubChem CID162507624
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(-c2cnc(Oc3ccccc3F)nc2)ccnn1C1CCCCO1
InChIInChI=1S/C19H17FN4O3/c20-15-5-1-2-6-16(15)27-19-21-11-13(12-22-19)14-8-9-23-24(18(14)25)17-7-3-4-10-26-17/h1-2,5-6,8-9,11-12,17H,3-4,7,10H2
InChIKeyUNVIQDGOLWTMDI-UHFFFAOYSA-N
XLogP3.33
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one (CID 162507624) is 4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one is O=c1c(-c2cnc(Oc3ccccc3F)nc2)ccnn1C1CCCCO1.
What is the InChIKey of 4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is UNVIQDGOLWTMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c20-15-5-1-2-6-16(15)27-19-21-11-13(12-22-19)14-8-9-23-24(18(14)25)17-7-3-4-10-26-17/h1-2,5-6,8-9,11-12,17H,3-4,7,10H2.
What are the key properties of 4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one?
4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 368.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 162507624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).