5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one

C25H24F2N4O3 — CID 118116499

IUPAC5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NCc2ccnn2C)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C25H24F2N4O3/c1-4-33-24-13-25(32)30(2)15-20(24)19-12-17(28-14-18-9-10-29-31(18)3)6-8-22(19)34-23-7-5-16(26)11-21(23)27/h5-13,15,28H,4,14H2,1-3H3
InChIKeyJNXFGAOGHWEWKC-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.87
Rot. Bonds8

About 5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one

5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one (PubChem CID 118116499) has the molecular formula C25H24F2N4O3 and a molecular weight of 466.49 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one
PubChem CID118116499
Molecular FormulaC25H24F2N4O3
Molecular Weight466.49 g/mol
Exact Mass466.18
IUPAC Name5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NCc2ccnn2C)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C25H24F2N4O3/c1-4-33-24-13-25(32)30(2)15-20(24)19-12-17(28-14-18-9-10-29-31(18)3)6-8-22(19)34-23-7-5-16(26)11-21(23)27/h5-13,15,28H,4,14H2,1-3H3
InChIKeyJNXFGAOGHWEWKC-UHFFFAOYSA-N
XLogP4.87
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one (CID 118116499) is 5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cc(NCc2ccnn2C)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of 5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one?
The InChIKey is JNXFGAOGHWEWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O3/c1-4-33-24-13-25(32)30(2)15-20(24)19-12-17(28-14-18-9-10-29-31(18)3)6-8-22(19)34-23-7-5-16(26)11-21(23)27/h5-13,15,28H,4,14H2,1-3H3.
What are the key properties of 5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one?
5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one has a molecular weight of 466.49 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluorophenoxy)-5-[(2-methylpyrazol-3-yl)methylamino]phenyl]-4-ethoxy-1-methylpyridin-2-one is sourced from PubChem (CID 118116499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).