(6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate

C37H30FN3O3 — CID 67092131

IUPAC(6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate
SMILESO=C(Oc1ccc(Cc2ccccc2)nc1)C1CN(Cc2ccc(-c3cc4nc(Cc5ccccc5)ccc4o3)c(F)c2)C1
InChIInChI=1S/C37H30FN3O3/c38-33-19-27(11-15-32(33)36-20-34-35(44-36)16-13-30(40-34)18-26-9-5-2-6-10-26)22-41-23-28(24-41)37(42)43-31-14-12-29(39-21-31)17-25-7-3-1-4-8-25/h1-16,19-21,28H,17-18,22-24H2
InChIKeySPNYCOPBCWDLTL-UHFFFAOYSA-N
MW583.66 g/mol
LogP7.25
Rot. Bonds9

About (6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate

(6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate (PubChem CID 67092131) has the molecular formula C37H30FN3O3 and a molecular weight of 583.66 g/mol. Its IUPAC name is (6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate.

Molecular Properties

Compound Name(6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate
PubChem CID67092131
Molecular FormulaC37H30FN3O3
Molecular Weight583.66 g/mol
Exact Mass583.23
IUPAC Name(6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate
SMILESO=C(Oc1ccc(Cc2ccccc2)nc1)C1CN(Cc2ccc(-c3cc4nc(Cc5ccccc5)ccc4o3)c(F)c2)C1
InChIInChI=1S/C37H30FN3O3/c38-33-19-27(11-15-32(33)36-20-34-35(44-36)16-13-30(40-34)18-26-9-5-2-6-10-26)22-41-23-28(24-41)37(42)43-31-14-12-29(39-21-31)17-25-7-3-1-4-8-25/h1-16,19-21,28H,17-18,22-24H2
InChIKeySPNYCOPBCWDLTL-UHFFFAOYSA-N
XLogP7.25
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.66
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate 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 (6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate?
The IUPAC name of (6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate (CID 67092131) is (6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate.
What is the SMILES notation for (6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate?
The canonical SMILES for (6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate is O=C(Oc1ccc(Cc2ccccc2)nc1)C1CN(Cc2ccc(-c3cc4nc(Cc5ccccc5)ccc4o3)c(F)c2)C1.
What is the InChIKey of (6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate?
The InChIKey is SPNYCOPBCWDLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30FN3O3/c38-33-19-27(11-15-32(33)36-20-34-35(44-36)16-13-30(40-34)18-26-9-5-2-6-10-26)22-41-23-28(24-41)37(42)43-31-14-12-29(39-21-31)17-25-7-3-1-4-8-25/h1-16,19-21,28H,17-18,22-24H2.
What are the key properties of (6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate?
(6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate has a molecular weight of 583.66 g/mol, XLogP of 7.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzyl-3-pyridinyl) 1-[[4-(5-benzylfuro[3,2-b]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylate is sourced from PubChem (CID 67092131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).