1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one

C22H16F2N6O3 — CID 118233454

IUPAC1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one
SMILESO=C1C=C(O)CN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)C1
InChIInChI=1S/C22H16F2N6O3/c23-16-4-2-1-3-13(16)10-30-20(18-5-6-33-28-18)8-19(27-30)21-25-9-17(24)22(26-21)29-11-14(31)7-15(32)12-29/h1-9,31H,10-12H2
InChIKeyGJWNYNBBTCZQOM-UHFFFAOYSA-N
MW450.41 g/mol
LogP3.15
Rot. Bonds5

About 1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one

1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one (PubChem CID 118233454) has the molecular formula C22H16F2N6O3 and a molecular weight of 450.41 g/mol. Its IUPAC name is 1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one
PubChem CID118233454
Molecular FormulaC22H16F2N6O3
Molecular Weight450.41 g/mol
Exact Mass450.13
IUPAC Name1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one
SMILESO=C1C=C(O)CN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)C1
InChIInChI=1S/C22H16F2N6O3/c23-16-4-2-1-3-13(16)10-30-20(18-5-6-33-28-18)8-19(27-30)21-25-9-17(24)22(26-21)29-11-14(31)7-15(32)12-29/h1-9,31H,10-12H2
InChIKeyGJWNYNBBTCZQOM-UHFFFAOYSA-N
XLogP3.15
TPSA110.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one?
The IUPAC name of 1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one (CID 118233454) is 1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one is O=C1C=C(O)CN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)C1.
What is the InChIKey of 1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one?
The InChIKey is GJWNYNBBTCZQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O3/c23-16-4-2-1-3-13(16)10-30-20(18-5-6-33-28-18)8-19(27-30)21-25-9-17(24)22(26-21)29-11-14(31)7-15(32)12-29/h1-9,31H,10-12H2.
What are the key properties of 1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one?
1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one has a molecular weight of 450.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-hydroxy-2,6-dihydropyridin-3-one is sourced from PubChem (CID 118233454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).