7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one

C23H19FN4O — CID 171760346

IUPAC7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
SMILES[2H]C1([2H])c2ncccc2C(=O)N1Cc1ccc(-c2ccc(C)c3nn(C)cc23)cc1F
InChIInChI=1S/C23H19FN4O/c1-14-5-8-17(19-12-27(2)26-22(14)19)15-6-7-16(20(24)10-15)11-28-13-21-18(23(28)29)4-3-9-25-21/h3-10,12H,11,13H2,1-2H3/i13D2
InChIKeyGJEIXTYVBJUXHS-KLTYLHELSA-N
MW388.44 g/mol
LogP4.24
Rot. Bonds3

About 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one

7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one (PubChem CID 171760346) has the molecular formula C23H19FN4O and a molecular weight of 388.44 g/mol. Its IUPAC name is 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
PubChem CID171760346
Molecular FormulaC23H19FN4O
Molecular Weight388.44 g/mol
Exact Mass388.17
IUPAC Name7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
SMILES[2H]C1([2H])c2ncccc2C(=O)N1Cc1ccc(-c2ccc(C)c3nn(C)cc23)cc1F
InChIInChI=1S/C23H19FN4O/c1-14-5-8-17(19-12-27(2)26-22(14)19)15-6-7-16(20(24)10-15)11-28-13-21-18(23(28)29)4-3-9-25-21/h3-10,12H,11,13H2,1-2H3/i13D2
InChIKeyGJEIXTYVBJUXHS-KLTYLHELSA-N
XLogP4.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one 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

7,7-dideuterio-6-[[2-fluoro-4-[7-fluoro-2-(trideuteriomethyl)indazol-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760474
7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760527
7,7-dideuterio-6-[[4-[7-(difluoromethoxy)-2-methylindazol-4-yl]-2,6-difluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760290
6-[[2-fluoro-4-[2-methyl-7-(2-propan-2-yloxyethoxy)indazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615880
6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615881
6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615779
6-[[4-[7-(1-butylazetidin-3-yl)oxy-2-methylindazol-4-yl]-2,6-difluorophenyl]methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one
CID 171760555
7,7-dideuterio-6-[[4-(2,6-dimethylindazol-5-yl)-2,6-difluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760594
7,7-dideuterio-6-[[2-fluoro-6-(2-methylpropoxy)-4-[2-methyl-7-(trifluoromethyl)indazol-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760359
7,7-dideuterio-6-[[2,6-difluoro-4-[7-(2-methoxyethoxy)-2-(trideuteriomethyl)indazol-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760588
7,7-dideuterio-6-[[2,6-difluoro-4-(7-methoxy-2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760604
6-[[4-(7-ethoxy-2-methylindazol-4-yl)-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615838

Frequently Asked Questions

What is the IUPAC name of 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one (CID 171760346) is 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one is [2H]C1([2H])c2ncccc2C(=O)N1Cc1ccc(-c2ccc(C)c3nn(C)cc23)cc1F.
What is the InChIKey of 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is GJEIXTYVBJUXHS-KLTYLHELSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-14-5-8-17(19-12-27(2)26-22(14)19)15-6-7-16(20(24)10-15)11-28-13-21-18(23(28)29)4-3-9-25-21/h3-10,12H,11,13H2,1-2H3/i13D2.
What are the key properties of 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one?
7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 388.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 171760346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).