methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate

C26H23FN2O3 — CID 58415359

IUPACmethyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ncc4o3)c(F)c2)C1
InChIInChI=1S/C26H23FN2O3/c1-31-26(30)20-15-29(16-20)14-18-7-8-22(23(27)10-18)24-12-19-11-21(28-13-25(19)32-24)9-17-5-3-2-4-6-17/h2-8,10-13,20H,9,14-16H2,1H3
InChIKeyGLJQZPGOEUOCLO-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.83
Rot. Bonds6

About methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate

methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate (PubChem CID 58415359) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate
PubChem CID58415359
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC Namemethyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ncc4o3)c(F)c2)C1
InChIInChI=1S/C26H23FN2O3/c1-31-26(30)20-15-29(16-20)14-18-7-8-22(23(27)10-18)24-12-19-11-21(28-13-25(19)32-24)9-17-5-3-2-4-6-17/h2-8,10-13,20H,9,14-16H2,1H3
InChIKeyGLJQZPGOEUOCLO-UHFFFAOYSA-N
XLogP4.83
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate?
The IUPAC name of methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate (CID 58415359) is methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate?
The canonical SMILES for methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate is COC(=O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ncc4o3)c(F)c2)C1.
What is the InChIKey of methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate?
The InChIKey is GLJQZPGOEUOCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-31-26(30)20-15-29(16-20)14-18-7-8-22(23(27)10-18)24-12-19-11-21(28-13-25(19)32-24)9-17-5-3-2-4-6-17/h2-8,10-13,20H,9,14-16H2,1H3.
What are the key properties of methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate?
methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate has a molecular weight of 430.48 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate is sourced from PubChem (CID 58415359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).