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

C21H17F6N3O3S — CID 88933082

IUPAC6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)c1cn2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C21H17F6N3O3S/c22-20(23,24)13-2-1-3-15(8-13)34(32,33)16-6-12(7-16)9-28-19(31)17-11-30-10-14(21(25,26)27)4-5-18(30)29-17/h1-5,8,10-12,16H,6-7,9H2,(H,28,31)
InChIKeyZKMVNQWQASRWOP-UHFFFAOYSA-N
MW505.44 g/mol
LogP4.35
Rot. Bonds5

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

6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 88933082) has the molecular formula C21H17F6N3O3S and a molecular weight of 505.44 g/mol. Its IUPAC name is 6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID88933082
Molecular FormulaC21H17F6N3O3S
Molecular Weight505.44 g/mol
Exact Mass505.09
IUPAC Name6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)c1cn2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C21H17F6N3O3S/c22-20(23,24)13-2-1-3-15(8-13)34(32,33)16-6-12(7-16)9-28-19(31)17-11-30-10-14(21(25,26)27)4-5-18(30)29-17/h1-5,8,10-12,16H,6-7,9H2,(H,28,31)
InChIKeyZKMVNQWQASRWOP-UHFFFAOYSA-N
XLogP4.35
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide
CID 88932939
N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 88933020
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796721
[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
CID 67054689
N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide
CID 88950213
N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42690045
N-cyclopentyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42690054
N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 66005188
N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide
CID 158422763
7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 24536944
N-[(2S,3S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxybutyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 138634493
4,4-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]pentan-2-one
CID 160564942

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 88933082) is 6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)c1cn2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ZKMVNQWQASRWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F6N3O3S/c22-20(23,24)13-2-1-3-15(8-13)34(32,33)16-6-12(7-16)9-28-19(31)17-11-30-10-14(21(25,26)27)4-5-18(30)29-17/h1-5,8,10-12,16H,6-7,9H2,(H,28,31).
What are the key properties of 6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 505.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 88933082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).