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

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

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
1-((6-(5-Cyclohexylbenzofuran-2-yl)pyridin-3-yl)methyl)azetidine-3-carboxylic acid
CID 16737509
Methyl 6-(2-(3-(4-(phenoxymethyl)phenyl)propanoyl)oxazol-5-yl)pyridine-3-carboxylate
CID 24800519
4-(3-Ethoxyphenyl)-1-(2-phenoxyethyl)pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 71212562
US10087191, Example 90
CID 124148331
2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]furo[3,2-b]pyridine
CID 24819159
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736241
4-[5-(4-Cyano-3-fluoro-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736415
4-[5-(4-Ethylcarbamoyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736416
4-[5-(2-Fluoro-4-aminocarbonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736417
4-[5-(4-Cyano-2-fluoro-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736569

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).