6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one

C26H27N3O4 — CID 24795287

IUPAC6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one
SMILESCc1ccc2oc3cc(OCC(O)CN4CCN(c5ccccn5)CC4)ccc3c(=O)c2c1
InChIInChI=1S/C26H27N3O4/c1-18-5-8-23-22(14-18)26(31)21-7-6-20(15-24(21)33-23)32-17-19(30)16-28-10-12-29(13-11-28)25-4-2-3-9-27-25/h2-9,14-15,19,30H,10-13,16-17H2,1H3
InChIKeyWOVDDTOIJFECNO-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.21
Rot. Bonds6

About 6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one

6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one (PubChem CID 24795287) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one.

Molecular Properties

Compound Name6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one
PubChem CID24795287
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one
SMILESCc1ccc2oc3cc(OCC(O)CN4CCN(c5ccccn5)CC4)ccc3c(=O)c2c1
InChIInChI=1S/C26H27N3O4/c1-18-5-8-23-22(14-18)26(31)21-7-6-20(15-24(21)33-23)32-17-19(30)16-28-10-12-29(13-11-28)25-4-2-3-9-27-25/h2-9,14-15,19,30H,10-13,16-17H2,1H3
InChIKeyWOVDDTOIJFECNO-UHFFFAOYSA-N
XLogP3.21
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one with MolForge

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

Launch Full Analysis

Related Compounds

5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-2-pyridin-4-yl-2,3-dihydrochromen-4-one
CID 168271593
2-((5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-N-(4-methylpyridin-2-yl)acetamide
CID 16416416
7-(3-(4-(2-Pyridinyl)-1-piperazinyl)propoxy)-4H-1-benzopyran-4-one
CID 147080
3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-7-(4-fluorophenoxy)-4H-chromen-4-one
CID 44414392
3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-7-(p-tolyloxy)-4H-chromen-4-one
CID 44414499
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]chromen-4-one
CID 164613047
1-Acetyl-4-[2-hydroxy-3-(4-(2-pyridyl)piperazinyl)propoxy]-3-methoxybenzene
CID 2946645
1-(4-{2-Hydroxy-3-[4-(pyridin-2-yl)piperazin-1-yl]propoxy}phenyl)propan-1-one
CID 2950330
1-{4-[2-Hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl}ethanone
CID 6603284
3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-7-phenoxy-4H-chromen-4-one
CID 44414391
3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-7-(4-methoxyphenoxy)-4H-chromen-4-one
CID 44414522
7-(2,3-dihydrobenzofuran-5-yloxy)-3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-4H-chromen-4-one
CID 44414542

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one?
The IUPAC name of 6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one (CID 24795287) is 6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one.
What is the SMILES notation for 6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one?
The canonical SMILES for 6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one is Cc1ccc2oc3cc(OCC(O)CN4CCN(c5ccccn5)CC4)ccc3c(=O)c2c1.
What is the InChIKey of 6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one?
The InChIKey is WOVDDTOIJFECNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-18-5-8-23-22(14-18)26(31)21-7-6-20(15-24(21)33-23)32-17-19(30)16-28-10-12-29(13-11-28)25-4-2-3-9-27-25/h2-9,14-15,19,30H,10-13,16-17H2,1H3.
What are the key properties of 6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one?
6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one has a molecular weight of 445.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one is sourced from PubChem (CID 24795287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).