2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one

C20H22N2O4 — CID 54352938

IUPAC2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(N2C(=O)c3ccncc3C2(C)O)cc1OC1CCCC1
InChIInChI=1S/C20H22N2O4/c1-20(24)16-12-21-10-9-15(16)19(23)22(20)13-7-8-17(25-2)18(11-13)26-14-5-3-4-6-14/h7-12,14,24H,3-6H2,1-2H3
InChIKeyUHBHUKYTGZEJMJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.24
Rot. Bonds4

About 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one

2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one (PubChem CID 54352938) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one
PubChem CID54352938
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(N2C(=O)c3ccncc3C2(C)O)cc1OC1CCCC1
InChIInChI=1S/C20H22N2O4/c1-20(24)16-12-21-10-9-15(16)19(23)22(20)13-7-8-17(25-2)18(11-13)26-14-5-3-4-6-14/h7-12,14,24H,3-6H2,1-2H3
InChIKeyUHBHUKYTGZEJMJ-UHFFFAOYSA-N
XLogP3.24
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one
CID 54425395
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 67670844
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-5-carbonyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 142665297
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-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 57249849
6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 67669438
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methoxy-3H-isoindol-1-one
CID 57240400
6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 57148496
ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate
CID 57138770
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-(cyclopropylmethyl)-3H-isoindol-1-one
CID 57088865
2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one
CID 57045932

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one (CID 54352938) is 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one is COc1ccc(N2C(=O)c3ccncc3C2(C)O)cc1OC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one?
The InChIKey is UHBHUKYTGZEJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-20(24)16-12-21-10-9-15(16)19(23)22(20)13-7-8-17(25-2)18(11-13)26-14-5-3-4-6-14/h7-12,14,24H,3-6H2,1-2H3.
What are the key properties of 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one?
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one has a molecular weight of 354.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 54352938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).