N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H15F3N4O3S — CID 71728057

IUPACN-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C21H15F3N4O3S/c22-21(23,24)15-2-1-3-17(10-15)32(30,31)18-6-5-16(26-12-18)11-27-20(29)14-4-7-19-25-8-9-28(19)13-14/h1-10,12-13H,11H2,(H,27,29)
InChIKeyZTKTYTFZIDBHOD-UHFFFAOYSA-N
MW460.44 g/mol
LogP3.51
Rot. Bonds5

About N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 71728057) has the molecular formula C21H15F3N4O3S and a molecular weight of 460.44 g/mol. Its IUPAC name is N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID71728057
Molecular FormulaC21H15F3N4O3S
Molecular Weight460.44 g/mol
Exact Mass460.08
IUPAC NameN-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C21H15F3N4O3S/c22-21(23,24)15-2-1-3-17(10-15)32(30,31)18-6-5-16(26-12-18)11-27-20(29)14-4-7-19-25-8-9-28(19)13-14/h1-10,12-13H,11H2,(H,27,29)
InChIKeyZTKTYTFZIDBHOD-UHFFFAOYSA-N
XLogP3.51
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 68277611
CID 68277611
CID 66611965
CID 66611965
CID 66609481
CID 66609481
CID 66609540
CID 66609540
CID 134551847
CID 134551847
CID 66610605
CID 66610605
CID 66614012
CID 66614012
CID 66614375
CID 66614375
CID 67123042
CID 67123042
CID 68277270
CID 68277270
CID 68277518
CID 68277518
CID 71765015
CID 71765015

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 71728057) is N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1ccc2nccn2c1.
What is the InChIKey of N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ZTKTYTFZIDBHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3S/c22-21(23,24)15-2-1-3-17(10-15)32(30,31)18-6-5-16(26-12-18)11-27-20(29)14-4-7-19-25-8-9-28(19)13-14/h1-10,12-13H,11H2,(H,27,29).
What are the key properties of N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 460.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 71728057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).