2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one

C21H24N2O3 — CID 67670844

IUPAC2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(N2C(=O)c3ccncc3C2C)cc1OC1CCCCC1
InChIInChI=1S/C21H24N2O3/c1-14-18-13-22-11-10-17(18)21(24)23(14)15-8-9-19(25-2)20(12-15)26-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3
InChIKeyUEUGTTCJFRSNPF-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.52
Rot. Bonds4

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

2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 67670844) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID67670844
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(N2C(=O)c3ccncc3C2C)cc1OC1CCCCC1
InChIInChI=1S/C21H24N2O3/c1-14-18-13-22-11-10-17(18)21(24)23(14)15-8-9-19(25-2)20(12-15)26-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3
InChIKeyUEUGTTCJFRSNPF-UHFFFAOYSA-N
XLogP4.52
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 57148496
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindole-5-carbonyl]-3-hydroxy-3H-pyrrolo[3,4-c]pyridin-1-one
CID 70166646
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindole-5-carbonyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 142678896
2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 57206164
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methoxy-3H-isoindol-1-one
CID 57240400
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 57249849
2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one
CID 57045932
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-(cyclopropylmethyl)-3H-isoindol-1-one
CID 57088865
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one
CID 54352938
2-(3-cyclopentyloxy-4-methoxyphenyl)-6-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-3H-isoindol-1-one
CID 70162783
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-ethenyl-5,6-dimethyl-3H-isoindol-1-one
CID 142627972
6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 67669438

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 67670844) is 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one is COc1ccc(N2C(=O)c3ccncc3C2C)cc1OC1CCCCC1.
What is the InChIKey of 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is UEUGTTCJFRSNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-18-13-22-11-10-17(18)21(24)23(14)15-8-9-19(25-2)20(12-15)26-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3.
What are the key properties of 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 352.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 67670844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).