5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one

C24H25FN4O3 — CID 58042829

IUPAC5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(OCc2ccc(F)cn2)cc1=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H25FN4O3/c25-20-8-9-21(26-13-20)17-32-22-12-24(31)29(27-14-22)16-23(30)19-6-4-18(5-7-19)15-28-10-2-1-3-11-28/h4-9,12-14H,1-3,10-11,15-17H2
InChIKeyACWLQWIXSWQCKR-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.23
Rot. Bonds8

About 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one

5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one (PubChem CID 58042829) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one
PubChem CID58042829
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(OCc2ccc(F)cn2)cc1=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H25FN4O3/c25-20-8-9-21(26-13-20)17-32-22-12-24(31)29(27-14-22)16-23(30)19-6-4-18(5-7-19)15-28-10-2-1-3-11-28/h4-9,12-14H,1-3,10-11,15-17H2
InChIKeyACWLQWIXSWQCKR-UHFFFAOYSA-N
XLogP3.23
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one?
The IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one (CID 58042829) is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one.
What is the SMILES notation for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one?
The canonical SMILES for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one is O=C(Cn1ncc(OCc2ccc(F)cn2)cc1=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one?
The InChIKey is ACWLQWIXSWQCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-20-8-9-21(26-13-20)17-32-22-12-24(31)29(27-14-22)16-23(30)19-6-4-18(5-7-19)15-28-10-2-1-3-11-28/h4-9,12-14H,1-3,10-11,15-17H2.
What are the key properties of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one?
5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one has a molecular weight of 436.49 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]pyridazin-3-one is sourced from PubChem (CID 58042829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).