Skip to content

1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one

C25H18F4N4O — CID 158547244

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one
SMILESCn1cc(C2=NCc3ccc(-c4ccn(Cc5cc(F)cc(C(F)(F)F)c5)c(=O)c4)cc32)cn1
InChIInChI=1S/C25H18F4N4O/c1-32-14-19(12-31-32)24-22-8-16(2-3-18(22)11-30-24)17-4-5-33(23(34)9-17)13-15-6-20(25(27,28)29)10-21(26)7-15/h2-10,12,14H,11,13H2,1H3
InChIKeyHPGSPYACJJQWNK-UHFFFAOYSA-N
MW466.44 g/mol
LogP4.81
Rot. Bonds4

About 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one

1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one (PubChem CID 158547244) has the molecular formula C25H18F4N4O and a molecular weight of 466.44 g/mol. Its IUPAC name is 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one
PubChem CID158547244
Molecular FormulaC25H18F4N4O
Molecular Weight466.44 g/mol
Exact Mass466.14
IUPAC Name1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one
SMILESCn1cc(C2=NCc3ccc(-c4ccn(Cc5cc(F)cc(C(F)(F)F)c5)c(=O)c4)cc32)cn1
InChIInChI=1S/C25H18F4N4O/c1-32-14-19(12-31-32)24-22-8-16(2-3-18(22)11-30-24)17-4-5-33(23(34)9-17)13-15-6-20(25(27,28)29)10-21(26)7-15/h2-10,12,14H,11,13H2,1H3
InChIKeyHPGSPYACJJQWNK-UHFFFAOYSA-N
XLogP4.81
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-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-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one?
The IUPAC name of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one (CID 158547244) is 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one?
The canonical SMILES for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one is Cn1cc(C2=NCc3ccc(-c4ccn(Cc5cc(F)cc(C(F)(F)F)c5)c(=O)c4)cc32)cn1.
What is the InChIKey of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one?
The InChIKey is HPGSPYACJJQWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N4O/c1-32-14-19(12-31-32)24-22-8-16(2-3-18(22)11-30-24)17-4-5-33(23(34)9-17)13-15-6-20(25(27,28)29)10-21(26)7-15/h2-10,12,14H,11,13H2,1H3.
What are the key properties of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one?
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one has a molecular weight of 466.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one is sourced from PubChem (CID 158547244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.