2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone

C26H28FN3O3 — CID 59439153

IUPAC2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone
SMILESCOC1CCN(Cc2ccc(C(=O)Cc3ccc(OCc4ccc(F)cc4)nn3)cc2)CC1
InChIInChI=1S/C26H28FN3O3/c1-32-24-12-14-30(15-13-24)17-19-2-6-21(7-3-19)25(31)16-23-10-11-26(29-28-23)33-18-20-4-8-22(27)9-5-20/h2-11,24H,12-18H2,1H3
InChIKeyAGJYOOIRCSNFLW-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.23
Rot. Bonds9

About 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone

2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone (PubChem CID 59439153) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone
PubChem CID59439153
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone
SMILESCOC1CCN(Cc2ccc(C(=O)Cc3ccc(OCc4ccc(F)cc4)nn3)cc2)CC1
InChIInChI=1S/C26H28FN3O3/c1-32-24-12-14-30(15-13-24)17-19-2-6-21(7-3-19)25(31)16-23-10-11-26(29-28-23)33-18-20-4-8-22(27)9-5-20/h2-11,24H,12-18H2,1H3
InChIKeyAGJYOOIRCSNFLW-UHFFFAOYSA-N
XLogP4.23
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone (CID 59439153) is 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone is COC1CCN(Cc2ccc(C(=O)Cc3ccc(OCc4ccc(F)cc4)nn3)cc2)CC1.
What is the InChIKey of 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone?
The InChIKey is AGJYOOIRCSNFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-32-24-12-14-30(15-13-24)17-19-2-6-21(7-3-19)25(31)16-23-10-11-26(29-28-23)33-18-20-4-8-22(27)9-5-20/h2-11,24H,12-18H2,1H3.
What are the key properties of 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone?
2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone has a molecular weight of 449.53 g/mol, XLogP of 4.23, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-1-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 59439153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).