1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one

C22H17F2N3O3 — CID 122541211

IUPAC1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cn(-c3ccc(OCF)cc3)c(=O)cc2Oc2cccc(F)c2)cn1
InChIInChI=1S/C22H17F2N3O3/c1-26-12-15(11-25-26)20-13-27(17-5-7-18(8-6-17)29-14-23)22(28)10-21(20)30-19-4-2-3-16(24)9-19/h2-13H,14H2,1H3
InChIKeyFMOFBBUINNQRSX-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.48
Rot. Bonds6

About 1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one

1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 122541211) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is 1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID122541211
Molecular FormulaC22H17F2N3O3
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC Name1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cn(-c3ccc(OCF)cc3)c(=O)cc2Oc2cccc(F)c2)cn1
InChIInChI=1S/C22H17F2N3O3/c1-26-12-15(11-25-26)20-13-27(17-5-7-18(8-6-17)29-14-23)22(28)10-21(20)30-19-4-2-3-16(24)9-19/h2-13H,14H2,1H3
InChIKeyFMOFBBUINNQRSX-UHFFFAOYSA-N
XLogP4.48
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one (CID 122541211) is 1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one is Cn1cc(-c2cn(-c3ccc(OCF)cc3)c(=O)cc2Oc2cccc(F)c2)cn1.
What is the InChIKey of 1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is FMOFBBUINNQRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c1-26-12-15(11-25-26)20-13-27(17-5-7-18(8-6-17)29-14-23)22(28)10-21(20)30-19-4-2-3-16(24)9-19/h2-13H,14H2,1H3.
What are the key properties of 1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one?
1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 409.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 122541211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).