3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine

C28H33ClF3N3O4 — CID 160653860

About 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine

3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine (PubChem CID 160653860) has the molecular formula C28H33ClF3N3O4 and a molecular weight of 568.04 g/mol. Its IUPAC name is 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine.

Molecular Properties

• Compound Name: 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine
• PubChem CID: 160653860
• Molecular Formula: C28H33ClF3N3O4
• Molecular Weight: 568.04 g/mol
• Exact Mass: 567.21
• IUPAC Name: 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine
• SMILES: CCCCCCCCCCNCc1ccoc1.O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
• InChI: InChI=1S/C15H27NO.C13H6ClF3N2O3/c1-2-3-4-5-6-7-8-9-11-16-13-15-10-12-17-14-15;14-10-9(12(20)21)18-11-7(13(15,16)17)4-6(5-19(10)11)8-2-1-3-22-8/h10,12,14,16H,2-9,11,13H2,1H3;1-5H,(H,20,21)
• InChIKey: RKUBJCBJWBSZPS-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 92.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.04
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine?

The IUPAC name of 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine (CID 160653860) is 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine.

What is the SMILES notation for 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine?

The canonical SMILES for 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine is CCCCCCCCCCNCc1ccoc1.O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl.

What is the InChIKey of 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine?

The InChIKey is RKUBJCBJWBSZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO.C13H6ClF3N2O3/c1-2-3-4-5-6-7-8-9-11-16-13-15-10-12-17-14-15;14-10-9(12(20)21)18-11-7(13(15,16)17)4-6(5-19(10)11)8-2-1-3-22-8/h10,12,14,16H,2-9,11,13H2,1H3;1-5H,(H,20,21).

What are the key properties of 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine?

3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine has a molecular weight of 568.04 g/mol, XLogP of 8.47, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine is sourced from PubChem (CID 160653860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).