7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine

C23H21NO4 — CID 118011717

IUPAC7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
SMILESCOc1cc(-c2cc3nccc(-c4cccc(C)c4)c3o2)cc(OC)c1OC
InChIInChI=1S/C23H21NO4/c1-14-6-5-7-15(10-14)17-8-9-24-18-13-19(28-22(17)18)16-11-20(25-2)23(27-4)21(12-16)26-3/h5-13H,1-4H3
InChIKeyFMFSJQMWFXRKGQ-UHFFFAOYSA-N
MW375.42 g/mol
LogP5.50
Rot. Bonds5

About 7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine

7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine (PubChem CID 118011717) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
PubChem CID118011717
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
SMILESCOc1cc(-c2cc3nccc(-c4cccc(C)c4)c3o2)cc(OC)c1OC
InChIInChI=1S/C23H21NO4/c1-14-6-5-7-15(10-14)17-8-9-24-18-13-19(28-22(17)18)16-11-20(25-2)23(27-4)21(12-16)26-3/h5-13H,1-4H3
InChIKeyFMFSJQMWFXRKGQ-UHFFFAOYSA-N
XLogP5.50
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine?
The IUPAC name of 7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine (CID 118011717) is 7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine is COc1cc(-c2cc3nccc(-c4cccc(C)c4)c3o2)cc(OC)c1OC.
What is the InChIKey of 7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine?
The InChIKey is FMFSJQMWFXRKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-14-6-5-7-15(10-14)17-8-9-24-18-13-19(28-22(17)18)16-11-20(25-2)23(27-4)21(12-16)26-3/h5-13H,1-4H3.
What are the key properties of 7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine?
7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine has a molecular weight of 375.42 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 118011717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).