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

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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).