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

C19H20N2O3 — CID 67669438

IUPAC6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(N2Cc3ncccc3C2=O)cc1OC1CCCC1
InChIInChI=1S/C19H20N2O3/c1-23-17-9-8-13(11-18(17)24-14-5-2-3-6-14)21-12-16-15(19(21)22)7-4-10-20-16/h4,7-11,14H,2-3,5-6,12H2,1H3
InChIKeyHORQSVXLCPNSRH-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.57
Rot. Bonds4

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

6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 67669438) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID67669438
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(N2Cc3ncccc3C2=O)cc1OC1CCCC1
InChIInChI=1S/C19H20N2O3/c1-23-17-9-8-13(11-18(17)24-14-5-2-3-6-14)21-12-16-15(19(21)22)7-4-10-20-16/h4,7-11,14H,2-3,5-6,12H2,1H3
InChIKeyHORQSVXLCPNSRH-UHFFFAOYSA-N
XLogP3.57
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 67669438) is 6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one is COc1ccc(N2Cc3ncccc3C2=O)cc1OC1CCCC1.
What is the InChIKey of 6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is HORQSVXLCPNSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-17-9-8-13(11-18(17)24-14-5-2-3-6-14)21-12-16-15(19(21)22)7-4-10-20-16/h4,7-11,14H,2-3,5-6,12H2,1H3.
What are the key properties of 6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 324.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 67669438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).