6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one

C23H18F3N3O2 — CID 162587560

IUPAC6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCOc1cc(=O)c(-c2ccnn2-c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3N3O2/c1-15-22(19-11-12-27-29(19)17-8-4-3-5-9-17)20(30)14-21(31-2)28(15)18-10-6-7-16(13-18)23(24,25)26/h3-14H,1-2H3
InChIKeySXCHUVJMTXJYSA-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.03
Rot. Bonds4

About 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one

6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 162587560) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID162587560
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC Name6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCOc1cc(=O)c(-c2ccnn2-c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3N3O2/c1-15-22(19-11-12-27-29(19)17-8-4-3-5-9-17)20(30)14-21(31-2)28(15)18-10-6-7-16(13-18)23(24,25)26/h3-14H,1-2H3
InChIKeySXCHUVJMTXJYSA-UHFFFAOYSA-N
XLogP5.03
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-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 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one (CID 162587560) is 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one is COc1cc(=O)c(-c2ccnn2-c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is SXCHUVJMTXJYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-15-22(19-11-12-27-29(19)17-8-4-3-5-9-17)20(30)14-21(31-2)28(15)18-10-6-7-16(13-18)23(24,25)26/h3-14H,1-2H3.
What are the key properties of 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one?
6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 425.41 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 162587560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).