3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one

C23H27NO7 — CID 162356734

IUPAC3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one
SMILESCOCCOCCOCCOCCOc1ccc(-c2cc3cccnc3oc2=O)cc1
InChIInChI=1S/C23H27NO7/c1-26-9-10-27-11-12-28-13-14-29-15-16-30-20-6-4-18(5-7-20)21-17-19-3-2-8-24-22(19)31-23(21)25/h2-8,17H,9-16H2,1H3
InChIKeyPBNQBSBGGXQBPQ-UHFFFAOYSA-N
MW429.47 g/mol
LogP2.93
Rot. Bonds14

About 3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one

3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one (PubChem CID 162356734) has the molecular formula C23H27NO7 and a molecular weight of 429.47 g/mol. Its IUPAC name is 3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one
PubChem CID162356734
Molecular FormulaC23H27NO7
Molecular Weight429.47 g/mol
Exact Mass429.18
IUPAC Name3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one
SMILESCOCCOCCOCCOCCOc1ccc(-c2cc3cccnc3oc2=O)cc1
InChIInChI=1S/C23H27NO7/c1-26-9-10-27-11-12-28-13-14-29-15-16-30-20-6-4-18(5-7-20)21-17-19-3-2-8-24-22(19)31-23(21)25/h2-8,17H,9-16H2,1H3
InChIKeyPBNQBSBGGXQBPQ-UHFFFAOYSA-N
XLogP2.93
TPSA89.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-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

12-[4-(2-oxopyrano[2,3-b]pyridin-3-yl)phenoxy]dodecyl prop-2-enoate
CID 162356975
2-[2-[2-[4-(2-oxopyrano[2,3-b]pyridin-3-yl)phenoxy]ethylsulfanyl]ethylsulfanyl]ethyl 2-(2,2-dimethylpropyl)-1,2-dimethylcyclopropane-1-carboxylate
CID 162357001
3-[4-(2-methoxyethoxy)phenyl]-2-methylpyridine
CID 90168005
12-[2-methyl-4-(2-oxopyrano[2,3-b]pyridin-3-yl)phenoxy]dodecyl 2,2-dimethylbutanoate
CID 162356902
4,7-bis[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,1,3-benzothiadiazole
CID 166983283
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-methylfuro[2,3-b]pyridine
CID 583578
3-(4-butoxyphenyl)-7-(hydroxymethoxy)chromen-2-one
CID 126606414
[3-(4-butoxyphenyl)-2-oxochromen-7-yl]oxymethyl propanoate
CID 153303627
N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
CID 42648681

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one (CID 162356734) is 3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one is COCCOCCOCCOCCOc1ccc(-c2cc3cccnc3oc2=O)cc1.
What is the InChIKey of 3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one?
The InChIKey is PBNQBSBGGXQBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO7/c1-26-9-10-27-11-12-28-13-14-29-15-16-30-20-6-4-18(5-7-20)21-17-19-3-2-8-24-22(19)31-23(21)25/h2-8,17H,9-16H2,1H3.
What are the key properties of 3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one?
3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one has a molecular weight of 429.47 g/mol, XLogP of 2.93, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 162356734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).