6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one

C20H16N2O2 — CID 14140488

IUPAC6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(O)(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C20H16N2O2/c23-19-17-12-7-13-21-18(17)20(24,16-10-5-2-6-11-16)22(19)14-15-8-3-1-4-9-15/h1-13,24H,14H2
InChIKeyBOPBUEITHPHZMS-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.93
Rot. Bonds3

About 6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one

6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one (PubChem CID 14140488) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one
PubChem CID14140488
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(O)(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C20H16N2O2/c23-19-17-12-7-13-21-18(17)20(24,16-10-5-2-6-11-16)22(19)14-15-8-3-1-4-9-15/h1-13,24H,14H2
InChIKeyBOPBUEITHPHZMS-UHFFFAOYSA-N
XLogP2.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-deuterio-1-phenylethyl)-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one
CID 10806404
(3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
CID 781996
3-hydroxy-2-[(4-nitrophenyl)methyl]-3-phenylisoindol-1-one
CID 51349702
3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one
CID 67044627
(3S)-3-benzyl-3-hydroxy-2-(pyridin-3-ylmethyl)isoindol-1-one
CID 723286
(3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one
CID 124628887
CID 166076521
CID 166076521
3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one
CID 572155
methyl 6-[(4-bromophenyl)methyl]-7-butyl-5-oxopyrrolo[3,4-b]pyridine-7-carboxylate
CID 24828431
1-benzyl-3,3-dichloro-5-hydroxy-4,4-dimethyl-5-phenylpyrrolidin-2-one
CID 134847338
benzyl-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamic acid
CID 67044537
2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one
CID 5121880

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one (CID 14140488) is 6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2C(O)(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one?
The InChIKey is BOPBUEITHPHZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19-17-12-7-13-21-18(17)20(24,16-10-5-2-6-11-16)22(19)14-15-8-3-1-4-9-15/h1-13,24H,14H2.
What are the key properties of 6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one?
6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one has a molecular weight of 316.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 14140488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).