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

C25H23NO7 — CID 66779542

IUPACmethyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
SMILESCOC(=O)c1ccc(OC)c(-c2ccnc3cc(-c4cc(OC)c(OC)c(OC)c4)oc23)c1
InChIInChI=1S/C25H23NO7/c1-28-19-7-6-14(25(27)32-5)10-17(19)16-8-9-26-18-13-20(33-23(16)18)15-11-21(29-2)24(31-4)22(12-15)30-3/h6-13H,1-5H3
InChIKeyYVWSTRKVWXVMOL-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.98
Rot. Bonds7

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

methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate (PubChem CID 66779542) has the molecular formula C25H23NO7 and a molecular weight of 449.46 g/mol. Its IUPAC name is methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
PubChem CID66779542
Molecular FormulaC25H23NO7
Molecular Weight449.46 g/mol
Exact Mass449.15
IUPAC Namemethyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
SMILESCOC(=O)c1ccc(OC)c(-c2ccnc3cc(-c4cc(OC)c(OC)c(OC)c4)oc23)c1
InChIInChI=1S/C25H23NO7/c1-28-19-7-6-14(25(27)32-5)10-17(19)16-8-9-26-18-13-20(33-23(16)18)15-11-21(29-2)24(31-4)22(12-15)30-3/h6-13H,1-5H3
InChIKeyYVWSTRKVWXVMOL-UHFFFAOYSA-N
XLogP4.98
TPSA89.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 56848500
N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 56849171
N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 66779357
7-(2-methoxy-4-pyridinyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779809
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
[4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine
CID 66778947
7-quinolin-6-yl-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779212
2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779394
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
7-(1,2,3,4-tetrahydrochrysen-6-yl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 174691765

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate?
The IUPAC name of methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate (CID 66779542) is methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate.
What is the SMILES notation for methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate?
The canonical SMILES for methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate is COC(=O)c1ccc(OC)c(-c2ccnc3cc(-c4cc(OC)c(OC)c(OC)c4)oc23)c1.
What is the InChIKey of methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate?
The InChIKey is YVWSTRKVWXVMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO7/c1-28-19-7-6-14(25(27)32-5)10-17(19)16-8-9-26-18-13-20(33-23(16)18)15-11-21(29-2)24(31-4)22(12-15)30-3/h6-13H,1-5H3.
What are the key properties of methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate?
methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate has a molecular weight of 449.46 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate is sourced from PubChem (CID 66779542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).