3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid

C17H12ClF3N4O4 — CID 140539148

About 3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid

3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid (PubChem CID 140539148) has the molecular formula C17H12ClF3N4O4 and a molecular weight of 428.75 g/mol. Its IUPAC name is 3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid
• PubChem CID: 140539148
• Molecular Formula: C17H12ClF3N4O4
• Molecular Weight: 428.75 g/mol
• Exact Mass: 428.05
• IUPAC Name: 3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid
• SMILES: O=C(NC1CN(C(=O)O)C1)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl
• InChI: InChI=1S/C17H12ClF3N4O4/c18-13-12(15(26)22-10-5-24(6-10)16(27)28)23-14-11(17(19,20)21)3-9(4-25(13)14)8-1-2-29-7-8/h1-4,7,10H,5-6H2,(H,22,26)(H,27,28)
• InChIKey: GXROUMJSIYQGON-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 100.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.75
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid?

The IUPAC name of 3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid (CID 140539148) is 3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid.

What is the SMILES notation for 3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid?

The canonical SMILES for 3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid is O=C(NC1CN(C(=O)O)C1)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl.

What is the InChIKey of 3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid?

The InChIKey is GXROUMJSIYQGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O4/c18-13-12(15(26)22-10-5-24(6-10)16(27)28)23-14-11(17(19,20)21)3-9(4-25(13)14)8-1-2-29-7-8/h1-4,7,10H,5-6H2,(H,22,26)(H,27,28).

What are the key properties of 3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid?

3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid has a molecular weight of 428.75 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid is sourced from PubChem (CID 140539148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).