1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone

C16H16N2O2 — CID 121191089

IUPAC1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1Cc2cccnc2C1
InChIInChI=1S/C16H16N2O2/c1-20-15-7-3-2-5-12(15)9-16(19)18-10-13-6-4-8-17-14(13)11-18/h2-8H,9-11H2,1H3
InChIKeyIHYVWQMNPMDALY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.18
Rot. Bonds3

About 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone

1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone (PubChem CID 121191089) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone
PubChem CID121191089
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1Cc2cccnc2C1
InChIInChI=1S/C16H16N2O2/c1-20-15-7-3-2-5-12(15)9-16(19)18-10-13-6-4-8-17-14(13)11-18/h2-8H,9-11H2,1H3
InChIKeyIHYVWQMNPMDALY-UHFFFAOYSA-N
XLogP2.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
3-(2-bromophenyl)-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propan-1-one
CID 121190953
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one
CID 121191045
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-phenylpropan-1-one
CID 121190856
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
methyl 2-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)benzoate
CID 121191028
2-benzylsulfanyl-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 121190905
2-(2-methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70718807
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(2-methoxyphenyl)propan-1-one
CID 56748974

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone (CID 121191089) is 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1Cc2cccnc2C1.
What is the InChIKey of 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is IHYVWQMNPMDALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-15-7-3-2-5-12(15)9-16(19)18-10-13-6-4-8-17-14(13)11-18/h2-8H,9-11H2,1H3.
What are the key properties of 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone?
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 268.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 121191089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).