6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one

C14H11BrN2O — CID 171760439

IUPAC6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one
SMILES[2H]C1([2H])c2ncccc2C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2O/c15-11-5-3-10(4-6-11)8-17-9-13-12(14(17)18)2-1-7-16-13/h1-7H,8-9H2/i9D2
InChIKeyNVGNMVGMPWEMNV-KNXIQCGSSA-N
MW305.17 g/mol
LogP3.00
Rot. Bonds2

About 6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one

6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one (PubChem CID 171760439) has the molecular formula C14H11BrN2O and a molecular weight of 305.17 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one
PubChem CID171760439
Molecular FormulaC14H11BrN2O
Molecular Weight305.17 g/mol
Exact Mass304.02
IUPAC Name6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one
SMILES[2H]C1([2H])c2ncccc2C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2O/c15-11-5-3-10(4-6-11)8-17-9-13-12(14(17)18)2-1-7-16-13/h1-7H,8-9H2/i9D2
InChIKeyNVGNMVGMPWEMNV-KNXIQCGSSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dideuterio-6-[(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760628
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-(2,6-dimethylindazol-5-yl)-2,6-difluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760594
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-[[2,6-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-(7-methoxy-2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760604
6-[[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171527956
6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615945
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-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760346
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

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one (CID 171760439) is 6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one is [2H]C1([2H])c2ncccc2C(=O)N1Cc1ccc(Br)cc1.
What is the InChIKey of 6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one?
The InChIKey is NVGNMVGMPWEMNV-KNXIQCGSSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-11-5-3-10(4-6-11)8-17-9-13-12(14(17)18)2-1-7-16-13/h1-7H,8-9H2/i9D2.
What are the key properties of 6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one?
6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one has a molecular weight of 305.17 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 171760439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).