7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C11H6F4N4O — CID 123886990

IUPAC7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESO=C1NCc2c(F)cnc(-n3cnc(C(F)(F)F)c3)c21
InChIInChI=1S/C11H6F4N4O/c12-6-2-16-9(8-5(6)1-17-10(8)20)19-3-7(18-4-19)11(13,14)15/h2-4H,1H2,(H,17,20)
InChIKeyUGLMEIPRQGMGMR-UHFFFAOYSA-N
MW286.19 g/mol
LogP1.67
Rot. Bonds1

About 7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 123886990) has the molecular formula C11H6F4N4O and a molecular weight of 286.19 g/mol. Its IUPAC name is 7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID123886990
Molecular FormulaC11H6F4N4O
Molecular Weight286.19 g/mol
Exact Mass286.05
IUPAC Name7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESO=C1NCc2c(F)cnc(-n3cnc(C(F)(F)F)c3)c21
InChIInChI=1S/C11H6F4N4O/c12-6-2-16-9(8-5(6)1-17-10(8)20)19-3-7(18-4-19)11(13,14)15/h2-4H,1H2,(H,17,20)
InChIKeyUGLMEIPRQGMGMR-UHFFFAOYSA-N
XLogP1.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-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 7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 123886990) is 7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is O=C1NCc2c(F)cnc(-n3cnc(C(F)(F)F)c3)c21.
What is the InChIKey of 7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is UGLMEIPRQGMGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N4O/c12-6-2-16-9(8-5(6)1-17-10(8)20)19-3-7(18-4-19)11(13,14)15/h2-4H,1H2,(H,17,20).
What are the key properties of 7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 286.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 123886990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).