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

C23H19FN4O — CID 171760527

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

IUPAC7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
SMILES[2H]C1([2H])c2ncccc2C(=O)N1Cc1ccc(-c2cc(C)c3nn(C)cc3c2)cc1F
InChIInChI=1S/C23H19FN4O/c1-14-8-17(9-18-11-27(2)26-22(14)18)15-5-6-16(20(24)10-15)12-28-13-21-19(23(28)29)4-3-7-25-21/h3-11H,12-13H2,1-2H3/i13D2
InChIKeyQSEOQEZKGRWWAS-KLTYLHELSA-N
MW388.44 g/mol
LogP4.24
Rot. Bonds3

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

7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one (PubChem CID 171760527) 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-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
PubChem CID171760527
Molecular FormulaC23H19FN4O
Molecular Weight388.44 g/mol
Exact Mass388.17
IUPAC Name7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
SMILES[2H]C1([2H])c2ncccc2C(=O)N1Cc1ccc(-c2cc(C)c3nn(C)cc3c2)cc1F
InChIInChI=1S/C23H19FN4O/c1-14-8-17(9-18-11-27(2)26-22(14)18)15-5-6-16(20(24)10-15)12-28-13-21-19(23(28)29)4-3-7-25-21/h3-11H,12-13H2,1-2H3/i13D2
InChIKeyQSEOQEZKGRWWAS-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

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Frequently Asked Questions

What is the IUPAC name of 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one (CID 171760527) is 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-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-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one is [2H]C1([2H])c2ncccc2C(=O)N1Cc1ccc(-c2cc(C)c3nn(C)cc3c2)cc1F.
What is the InChIKey of 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is QSEOQEZKGRWWAS-KLTYLHELSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-14-8-17(9-18-11-27(2)26-22(14)18)15-5-6-16(20(24)10-15)12-28-13-21-19(23(28)29)4-3-7-25-21/h3-11H,12-13H2,1-2H3/i13D2.
What are the key properties of 7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one?
7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-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-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 171760527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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