3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide

C23H17F4N3O2 — CID 166822308

IUPAC3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide
SMILESCc1ccccc1C1NC(=O)c2c(C)ncc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c21
InChIInChI=1S/C23H17F4N3O2/c1-11-5-3-4-6-16(11)20-19-17(10-28-12(2)18(19)22(32)30-20)29-21(31)13-7-14(23(25,26)27)9-15(24)8-13/h3-10,20H,1-2H3,(H,29,31)(H,30,32)
InChIKeyRMUXVNQBLMMEGI-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.94
Rot. Bonds3

About 3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide (PubChem CID 166822308) has the molecular formula C23H17F4N3O2 and a molecular weight of 443.40 g/mol. Its IUPAC name is 3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide
PubChem CID166822308
Molecular FormulaC23H17F4N3O2
Molecular Weight443.40 g/mol
Exact Mass443.13
IUPAC Name3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide
SMILESCc1ccccc1C1NC(=O)c2c(C)ncc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c21
InChIInChI=1S/C23H17F4N3O2/c1-11-5-3-4-6-16(11)20-19-17(10-28-12(2)18(19)22(32)30-20)29-21(31)13-7-14(23(25,26)27)9-15(24)8-13/h3-10,20H,1-2H3,(H,29,31)(H,30,32)
InChIKeyRMUXVNQBLMMEGI-UHFFFAOYSA-N
XLogP4.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-cyano-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176618763
N-[7-dimethylphosphoryl-3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176619698
3-fluoro-N-[6-(fluoromethyl)-3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide
CID 166821630
3-fluoro-N-[6-(hydroxymethyl)-3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide
CID 166822459
ethane;3-fluoro-N-[6-(5-fluoro-2-methylphenyl)-2-methyl-8-oxo-6,7-dihydro-3H-pyrrolo[3,4-e]benzimidazol-5-yl]-5-(trifluoromethyl)benzamide
CID 170750107
N-[5-(2-chloro-5-fluorophenyl)-3-oxo-4-azatricyclo[7.6.0.02,6]pentadeca-1,6,8-trien-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750966
N-[(6R)-6-(2-chloro-5-fluorophenyl)-3-(2,2-difluoroethyl)-8-oxo-6,7-dihydropyrrolo[3,4-e]indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750046
N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822260
3-bromo-5-fluoro-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]benzamide
CID 166821596
N-[2-acetamido-6-(2-chloro-5-fluorophenyl)-8-oxo-6,7-dihydropyrrolo[3,4-e][1,3]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750277
N-[(3S)-6-bromo-3-(2,3-difluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166821655
N-[(6R)-6-(2-chloro-5-fluorophenyl)-8-oxo-3-(1,1,1-trifluoropropan-2-yl)-6,7-dihydropyrrolo[3,4-e]indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 174310666

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide (CID 166822308) is 3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide is Cc1ccccc1C1NC(=O)c2c(C)ncc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c21.
What is the InChIKey of 3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is RMUXVNQBLMMEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N3O2/c1-11-5-3-4-6-16(11)20-19-17(10-28-12(2)18(19)22(32)30-20)29-21(31)13-7-14(23(25,26)27)9-15(24)8-13/h3-10,20H,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 443.40 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 166822308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).