methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate

C24H21NO6 — CID 56848500

IUPACmethyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccnc3cc(-c4cc(OC)c(OC)c(OC)c4)oc23)cc1
InChIInChI=1S/C24H21NO6/c1-27-20-11-16(12-21(28-2)23(20)29-3)19-13-18-22(31-19)17(9-10-25-18)14-5-7-15(8-6-14)24(26)30-4/h5-13H,1-4H3
InChIKeyCZOMSMHHXXKQLI-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.97
Rot. Bonds6

About methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate

methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate (PubChem CID 56848500) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
PubChem CID56848500
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Namemethyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccnc3cc(-c4cc(OC)c(OC)c(OC)c4)oc23)cc1
InChIInChI=1S/C24H21NO6/c1-27-20-11-16(12-21(28-2)23(20)29-3)19-13-18-22(31-19)17(9-10-25-18)14-5-7-15(8-6-14)24(26)30-4/h5-13H,1-4H3
InChIKeyCZOMSMHHXXKQLI-UHFFFAOYSA-N
XLogP4.97
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate with MolForge

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Related Compounds

methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 66779542
N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 66779357
[4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine
CID 66778947
7-(2-methoxy-4-pyridinyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779809
7-quinolin-6-yl-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779212
nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid
CID 174691844
7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 118011717
methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate
CID 66779782
(4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one
CID 157326078
N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 56849171
7-(1,2,3,4-tetrahydrochrysen-6-yl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 174691765
7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779798

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate?
The IUPAC name of methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate (CID 56848500) is methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate?
The canonical SMILES for methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate is COC(=O)c1ccc(-c2ccnc3cc(-c4cc(OC)c(OC)c(OC)c4)oc23)cc1.
What is the InChIKey of methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate?
The InChIKey is CZOMSMHHXXKQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-27-20-11-16(12-21(28-2)23(20)29-3)19-13-18-22(31-19)17(9-10-25-18)14-5-7-15(8-6-14)24(26)30-4/h5-13H,1-4H3.
What are the key properties of methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate?
methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate has a molecular weight of 419.43 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate is sourced from PubChem (CID 56848500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).