4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one

C23H22FNO4 — CID 53476614

IUPAC4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one
SMILESCc1cc(-n2ccc(OCc3ccc(F)cc3)cc2=O)ccc1OCC1(O)CC1
InChIInChI=1S/C23H22FNO4/c1-16-12-19(6-7-21(16)29-15-23(27)9-10-23)25-11-8-20(13-22(25)26)28-14-17-2-4-18(24)5-3-17/h2-8,11-13,27H,9-10,14-15H2,1H3
InChIKeyDSXGYSJOEHCCMA-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.77
Rot. Bonds7

About 4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one (PubChem CID 53476614) has the molecular formula C23H22FNO4 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one
PubChem CID53476614
Molecular FormulaC23H22FNO4
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one
SMILESCc1cc(-n2ccc(OCc3ccc(F)cc3)cc2=O)ccc1OCC1(O)CC1
InChIInChI=1S/C23H22FNO4/c1-16-12-19(6-7-21(16)29-15-23(27)9-10-23)25-11-8-20(13-22(25)26)28-14-17-2-4-18(24)5-3-17/h2-8,11-13,27H,9-10,14-15H2,1H3
InChIKeyDSXGYSJOEHCCMA-UHFFFAOYSA-N
XLogP3.77
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one (CID 53476614) is 4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one is Cc1cc(-n2ccc(OCc3ccc(F)cc3)cc2=O)ccc1OCC1(O)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one?
The InChIKey is DSXGYSJOEHCCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4/c1-16-12-19(6-7-21(16)29-15-23(27)9-10-23)25-11-8-20(13-22(25)26)28-14-17-2-4-18(24)5-3-17/h2-8,11-13,27H,9-10,14-15H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one has a molecular weight of 395.43 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one is sourced from PubChem (CID 53476614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).