2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one

C15H14N2O2 — CID 20866828

IUPAC2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCCOc1ccc(N2Cc3ccncc3C2=O)cc1
InChIInChI=1S/C15H14N2O2/c1-2-19-13-5-3-12(4-6-13)17-10-11-7-8-16-9-14(11)15(17)18/h3-9H,2,10H2,1H3
InChIKeySPLYNQYOTPJXGE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one

2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 20866828) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID20866828
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCCOc1ccc(N2Cc3ccncc3C2=O)cc1
InChIInChI=1S/C15H14N2O2/c1-2-19-13-5-3-12(4-6-13)17-10-11-7-8-16-9-14(11)15(17)18/h3-9H,2,10H2,1H3
InChIKeySPLYNQYOTPJXGE-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-3-oxo-1H-isoindole-5-carboxylic acid
CID 20854774
2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate
CID 123966627
1-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 2848649
6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-ethoxyphenyl)-3H-isoindol-1-one
CID 18510842
1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
CID 117026421
2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 15941350
4-(4-ethoxyphenyl)piperazine-2,6-dione
CID 63789608
2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid
CID 71339265
2-(chloromethyl)-3-(4-ethoxyphenyl)-4H-quinazoline
CID 175305189
1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 134092663
(2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 9006701
3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114716275

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one (CID 20866828) is 2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one is CCOc1ccc(N2Cc3ccncc3C2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is SPLYNQYOTPJXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-19-13-5-3-12(4-6-13)17-10-11-7-8-16-9-14(11)15(17)18/h3-9H,2,10H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one?
2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 254.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 20866828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).