7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one

C21H16N4O — CID 171760628

IUPAC7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one
SMILES[2H]C1([2H])c2ncccc2C(=O)N1Cc1ccc(-c2cccc3ccnn23)cc1
InChIInChI=1S/C21H16N4O/c26-21-18-4-2-11-22-19(18)14-24(21)13-15-6-8-16(9-7-15)20-5-1-3-17-10-12-23-25(17)20/h1-12H,13-14H2/i14D2
InChIKeyJIIVWFWBOMTHNN-FNHLFAINSA-N
MW342.40 g/mol
LogP3.55
Rot. Bonds3

About 7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one

7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one (PubChem CID 171760628) has the molecular formula C21H16N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one
PubChem CID171760628
Molecular FormulaC21H16N4O
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one
SMILES[2H]C1([2H])c2ncccc2C(=O)N1Cc1ccc(-c2cccc3ccnn23)cc1
InChIInChI=1S/C21H16N4O/c26-21-18-4-2-11-22-19(18)14-24(21)13-15-6-8-16(9-7-15)20-5-1-3-17-10-12-23-25(17)20/h1-12H,13-14H2/i14D2
InChIKeyJIIVWFWBOMTHNN-FNHLFAINSA-N
XLogP3.55
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one
CID 171760439
6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615945
7,7-dideuterio-6-[[2,6-dichloro-4-[2-(trideuteriomethyl)indazol-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760391
7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760405
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-(2,6-dimethylindazol-5-yl)-2,6-difluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760594
7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760346
6-[[2-chloro-6-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one
CID 171760265
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
1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione
CID 141384491
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-(aminomethyl)phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 60998117

Frequently Asked Questions

What is the IUPAC name of 7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one (CID 171760628) is 7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one is [2H]C1([2H])c2ncccc2C(=O)N1Cc1ccc(-c2cccc3ccnn23)cc1.
What is the InChIKey of 7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is JIIVWFWBOMTHNN-FNHLFAINSA-N. The full InChI is InChI=1S/C21H16N4O/c26-21-18-4-2-11-22-19(18)14-24(21)13-15-6-8-16(9-7-15)20-5-1-3-17-10-12-23-25(17)20/h1-12H,13-14H2/i14D2.
What are the key properties of 7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one?
7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 342.40 g/mol, XLogP of 3.55, 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-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 171760628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).