(5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one

C20H16N2O3 — CID 99864604

IUPAC(5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one
SMILESCOc1ccc(N2C(=O)c3ncccc3[C@@]2(O)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O3/c1-25-16-11-9-15(10-12-16)22-19(23)18-17(8-5-13-21-18)20(22,24)14-6-3-2-4-7-14/h2-13,24H,1H3/t20-/m0/s1
InChIKeyUKGIDUZXSBINEC-FQEVSTJZSA-N
MW332.36 g/mol
LogP2.94
Rot. Bonds3

About (5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one

(5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one (PubChem CID 99864604) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is (5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one
PubChem CID99864604
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name(5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one
SMILESCOc1ccc(N2C(=O)c3ncccc3[C@@]2(O)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O3/c1-25-16-11-9-15(10-12-16)22-19(23)18-17(8-5-13-21-18)20(22,24)14-6-3-2-4-7-14/h2-13,24H,1H3/t20-/m0/s1
InChIKeyUKGIDUZXSBINEC-FQEVSTJZSA-N
XLogP2.94
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one
CID 15683237
(3S)-3-(4-methoxyanilino)-2-(4-methoxyphenyl)-3-phenylisoindol-1-one
CID 41022145
[6-[1-hydroxy-2-(4-methoxyphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]-methylcarbamic acid
CID 67044867
1,3-bis(4-methoxyphenyl)-5,5-diphenylimidazolidine-2,4-dione
CID 135011161
(3S)-3-hydroxy-2-(4-nitrophenyl)-3-phenylisoindol-1-one
CID 40548725
[4-[2-(4-methoxyphenyl)-3,3'-dioxo-1,1'-spirobi[isoindole]-2'-yl]phenyl] acetate
CID 89397450
3-hydroxy-2-(3-methoxyphenyl)-3-[2-(pyrimidin-2-ylamino)-3H-benzimidazol-5-yl]isoindol-1-one
CID 67044581
1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile
CID 57328295
5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one
CID 135002668
4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one
CID 12823050
1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine
CID 79497874
1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole
CID 139396097

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of (5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one (CID 99864604) is (5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for (5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for (5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one is COc1ccc(N2C(=O)c3ncccc3[C@@]2(O)c2ccccc2)cc1.
What is the InChIKey of (5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one?
The InChIKey is UKGIDUZXSBINEC-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-25-16-11-9-15(10-12-16)22-19(23)18-17(8-5-13-21-18)20(22,24)14-6-3-2-4-7-14/h2-13,24H,1H3/t20-/m0/s1.
What are the key properties of (5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one?
(5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one has a molecular weight of 332.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 99864604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).