3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C23H21ClF3N5O3S — CID 25164144

IUPAC3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)C(NC(=O)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)c1cccs1
InChIInChI=1S/C23H21ClF3N5O3S/c1-31(2)8-7-28-21(33)17(16-6-4-10-36-16)30-22(34)18-19(24)32-12-13(15-5-3-9-35-15)11-14(20(32)29-18)23(25,26)27/h3-6,9-12,17H,7-8H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyPGSIVUXKXOFMJT-UHFFFAOYSA-N
MW539.97 g/mol
LogP4.48
Rot. Bonds8

About 3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25164144) has the molecular formula C23H21ClF3N5O3S and a molecular weight of 539.97 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25164144
Molecular FormulaC23H21ClF3N5O3S
Molecular Weight539.97 g/mol
Exact Mass539.10
IUPAC Name3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)C(NC(=O)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)c1cccs1
InChIInChI=1S/C23H21ClF3N5O3S/c1-31(2)8-7-28-21(33)17(16-6-4-10-36-16)30-22(34)18-19(24)32-12-13(15-5-3-9-35-15)11-14(20(32)29-18)23(25,26)27/h3-6,9-12,17H,7-8H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyPGSIVUXKXOFMJT-UHFFFAOYSA-N
XLogP4.48
TPSA91.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.97
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 25164144) is 3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is CN(C)CCNC(=O)C(NC(=O)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)c1cccs1.
What is the InChIKey of 3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is PGSIVUXKXOFMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N5O3S/c1-31(2)8-7-28-21(33)17(16-6-4-10-36-16)30-22(34)18-19(24)32-12-13(15-5-3-9-35-15)11-14(20(32)29-18)23(25,26)27/h3-6,9-12,17H,7-8H2,1-2H3,(H,28,33)(H,30,34).
What are the key properties of 3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 539.97 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-thiophen-2-ylethyl]-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25164144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).