3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde

C21H15ClF3N3O2S — CID 141234017

IUPAC3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(c2cccs2)(c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1
InChIInChI=1S/C21H15ClF3N3O2S/c22-18-17(20(16-2-1-7-31-16)4-5-27(11-20)12-29)26-19-15(21(23,24)25)8-14(9-28(18)19)13-3-6-30-10-13/h1-3,6-10,12H,4-5,11H2
InChIKeyFBKKEYFDMNDVRN-UHFFFAOYSA-N
MW465.88 g/mol
LogP5.48
Rot. Bonds4

About 3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde

3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde (PubChem CID 141234017) has the molecular formula C21H15ClF3N3O2S and a molecular weight of 465.88 g/mol. Its IUPAC name is 3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde
PubChem CID141234017
Molecular FormulaC21H15ClF3N3O2S
Molecular Weight465.88 g/mol
Exact Mass465.05
IUPAC Name3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(c2cccs2)(c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1
InChIInChI=1S/C21H15ClF3N3O2S/c22-18-17(20(16-2-1-7-31-16)4-5-27(11-20)12-29)26-19-15(21(23,24)25)8-14(9-28(18)19)13-3-6-30-10-13/h1-3,6-10,12H,4-5,11H2
InChIKeyFBKKEYFDMNDVRN-UHFFFAOYSA-N
XLogP5.48
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.88
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde 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 3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde?
The IUPAC name of 3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde (CID 141234017) is 3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde is O=CN1CCC(c2cccs2)(c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1.
What is the InChIKey of 3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde?
The InChIKey is FBKKEYFDMNDVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O2S/c22-18-17(20(16-2-1-7-31-16)4-5-27(11-20)12-29)26-19-15(21(23,24)25)8-14(9-28(18)19)13-3-6-30-10-13/h1-3,6-10,12H,4-5,11H2.
What are the key properties of 3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde?
3-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde has a molecular weight of 465.88 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 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]pyridin-2-yl]-3-thiophen-2-ylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 141234017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).