2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine

C24H21FN2O — CID 68778521

IUPAC2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine
SMILESFc1cc(CN2CCC2)ccc1-c1cc2cc(Cc3ccccn3)ccc2o1
InChIInChI=1S/C24H21FN2O/c25-22-14-18(16-27-10-3-11-27)5-7-21(22)24-15-19-12-17(6-8-23(19)28-24)13-20-4-1-2-9-26-20/h1-2,4-9,12,14-15H,3,10-11,13,16H2
InChIKeySICFBABGOCEXCB-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.43
Rot. Bonds5

About 2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine

2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine (PubChem CID 68778521) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine
PubChem CID68778521
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine
SMILESFc1cc(CN2CCC2)ccc1-c1cc2cc(Cc3ccccn3)ccc2o1
InChIInChI=1S/C24H21FN2O/c25-22-14-18(16-27-10-3-11-27)5-7-21(22)24-15-19-12-17(6-8-23(19)28-24)13-20-4-1-2-9-26-20/h1-2,4-9,12,14-15H,3,10-11,13,16H2
InChIKeySICFBABGOCEXCB-UHFFFAOYSA-N
XLogP5.43
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine?
The IUPAC name of 2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine (CID 68778521) is 2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine.
What is the SMILES notation for 2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine?
The canonical SMILES for 2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine is Fc1cc(CN2CCC2)ccc1-c1cc2cc(Cc3ccccn3)ccc2o1.
What is the InChIKey of 2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine?
The InChIKey is SICFBABGOCEXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c25-22-14-18(16-27-10-3-11-27)5-7-21(22)24-15-19-12-17(6-8-23(19)28-24)13-20-4-1-2-9-26-20/h1-2,4-9,12,14-15H,3,10-11,13,16H2.
What are the key properties of 2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine?
2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine has a molecular weight of 372.44 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]pyridine is sourced from PubChem (CID 68778521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).