4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine

C21H18N2O3 — CID 130442508

IUPAC4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine
SMILESCOc1ccc(-c2ccc(Oc3nccc4occc34)cc2C)c(C)n1
InChIInChI=1S/C21H18N2O3/c1-13-12-15(26-21-18-9-11-25-19(18)8-10-22-21)4-5-16(13)17-6-7-20(24-3)23-14(17)2/h4-12H,1-3H3
InChIKeyBUMAFJXLGSZPPK-UHFFFAOYSA-N
MW346.39 g/mol
LogP5.31
Rot. Bonds4

About 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine

4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine (PubChem CID 130442508) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine
PubChem CID130442508
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine
SMILESCOc1ccc(-c2ccc(Oc3nccc4occc34)cc2C)c(C)n1
InChIInChI=1S/C21H18N2O3/c1-13-12-15(26-21-18-9-11-25-19(18)8-10-22-21)4-5-16(13)17-6-7-20(24-3)23-14(17)2/h4-12H,1-3H3
InChIKeyBUMAFJXLGSZPPK-UHFFFAOYSA-N
XLogP5.31
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-(Furo(3,2-c)pyridin-4-yloxy)-2-methylphenyl)-1,5-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 75202022
(Rac)-PF-06256142
CID 75201901
5-[2-Fluoro-4-(furo[3,2-c]pyridin-4-yloxy)phenyl]-4,6-dimethylpyridazin-3(2H)-one
CID 75201899
4-[4-(3,5-Dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 75201961
4-[4-(4-Ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 90134199
6-(4-(Furo[3,2-C]pyridin-4-yloxy)-2-methylphenyl)-5-methylpyrazin-2-amine
CID 90134211
4-(4-(1-(Tert-butyl)-4-methyl-1H-pyrazol-5-YL)-3-methylphenoxy)furo[3,2-C]pyridine
CID 90142280
5-(4-Furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyridin-3-amine
CID 130442471
4-(4-Imidazo[1,2-a]pyridin-5-yl-3-methylphenoxy)furo[3,2-c]pyridine
CID 130442473
4-[3-Methyl-4-(6-methylimidazo[1,2-a]pyridin-5-yl)phenoxy]furo[3,2-c]pyridine
CID 130442514
4-[4-(6-Methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine
CID 130442561
4-[4-Imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine
CID 130442572

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine (CID 130442508) is 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine is COc1ccc(-c2ccc(Oc3nccc4occc34)cc2C)c(C)n1.
What is the InChIKey of 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine?
The InChIKey is BUMAFJXLGSZPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-13-12-15(26-21-18-9-11-25-19(18)8-10-22-21)4-5-16(13)17-6-7-20(24-3)23-14(17)2/h4-12H,1-3H3.
What are the key properties of 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine?
4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine has a molecular weight of 346.39 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 130442508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).