6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C15H14N2O2 — CID 3245547

IUPAC6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1ccc(N2Cc3ncccc3C2=O)cc1
InChIInChI=1S/C15H14N2O2/c1-2-19-12-7-5-11(6-8-12)17-10-14-13(15(17)18)4-3-9-16-14/h3-9H,2,10H2,1H3
InChIKeyMZSIHQVJLSKDQP-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.64
Rot. Bonds3

About 6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 3245547) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID3245547
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1ccc(N2Cc3ncccc3C2=O)cc1
InChIInChI=1S/C15H14N2O2/c1-2-19-12-7-5-11(6-8-12)17-10-14-13(15(17)18)4-3-9-16-14/h3-9H,2,10H2,1H3
InChIKeyMZSIHQVJLSKDQP-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

6-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-6H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 44431192
2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2H-pyrrolo[3,4-c]pyridine-1,3-dione
CID 44431194
6-(2-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 699158
6-(4-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 682662
N-(4-Ethoxyphenyl)picolinamide
CID 904031
N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
N-(2-aminoethyl)-N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 137648286
Methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate
CID 2764383
1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6494486
N-(4-methoxyphenyl)-1-(3-pyridinylcarbonyl)-3-piperidinamine
CID 24793000
1-[4-({5-nitropyridin-2-yl}oxy)phenyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 818769
2-(3-methoxyphenyl)-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 1263476

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 3245547) is 6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one is CCOc1ccc(N2Cc3ncccc3C2=O)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MZSIHQVJLSKDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-19-12-7-5-11(6-8-12)17-10-14-13(15(17)18)4-3-9-16-14/h3-9H,2,10H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-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 6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 3245547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).