6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

C18H16F3N3O3S — CID 71765014

IUPAC6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C(F)(F)F)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)n2c1
InChIInChI=1S/C18H16F3N3O3S/c1-11-3-8-14-23-16(18(19,20)21)15(24(14)10-11)17(25)22-9-12-4-6-13(7-5-12)28(2,26)27/h3-8,10H,9H2,1-2H3,(H,22,25)
InChIKeyCHWRAORUBMKRSA-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.00
Rot. Bonds4

About 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71765014) has the molecular formula C18H16F3N3O3S and a molecular weight of 411.41 g/mol. Its IUPAC name is 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71765014
Molecular FormulaC18H16F3N3O3S
Molecular Weight411.41 g/mol
Exact Mass411.09
IUPAC Name6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C(F)(F)F)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)n2c1
InChIInChI=1S/C18H16F3N3O3S/c1-11-3-8-14-23-16(18(19,20)21)15(24(14)10-11)17(25)22-9-12-4-6-13(7-5-12)28(2,26)27/h3-8,10H,9H2,1-2H3,(H,22,25)
InChIKeyCHWRAORUBMKRSA-UHFFFAOYSA-N
XLogP3.00
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71765014) is 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(C(F)(F)F)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)n2c1.
What is the InChIKey of 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CHWRAORUBMKRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3S/c1-11-3-8-14-23-16(18(19,20)21)15(24(14)10-11)17(25)22-9-12-4-6-13(7-5-12)28(2,26)27/h3-8,10H,9H2,1-2H3,(H,22,25).
What are the key properties of 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71765014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).