2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one

C16H14N2O3 — CID 121379059

IUPAC2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one
SMILESO=C1CCc2nc(-c3cncc4c3COCC4O)ccc21
InChIInChI=1S/C16H14N2O3/c19-15-4-3-13-9(15)1-2-14(18-13)10-5-17-6-11-12(10)7-21-8-16(11)20/h1-2,5-6,16,20H,3-4,7-8H2
InChIKeyRFIQONWGZHABKF-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.84
Rot. Bonds1

About 2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one

2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one (PubChem CID 121379059) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one.

Molecular Properties

Compound Name2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one
PubChem CID121379059
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one
SMILESO=C1CCc2nc(-c3cncc4c3COCC4O)ccc21
InChIInChI=1S/C16H14N2O3/c19-15-4-3-13-9(15)1-2-14(18-13)10-5-17-6-11-12(10)7-21-8-16(11)20/h1-2,5-6,16,20H,3-4,7-8H2
InChIKeyRFIQONWGZHABKF-UHFFFAOYSA-N
XLogP1.84
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[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 2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one?
The IUPAC name of 2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one (CID 121379059) is 2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one.
What is the SMILES notation for 2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one?
The canonical SMILES for 2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one is O=C1CCc2nc(-c3cncc4c3COCC4O)ccc21.
What is the InChIKey of 2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one?
The InChIKey is RFIQONWGZHABKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15-4-3-13-9(15)1-2-14(18-13)10-5-17-6-11-12(10)7-21-8-16(11)20/h1-2,5-6,16,20H,3-4,7-8H2.
What are the key properties of 2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one?
2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one has a molecular weight of 282.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one is sourced from PubChem (CID 121379059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).