3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide

C27H26F3N3O4S — CID 146550283

IUPAC3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCCc1c(COc2ccccc2C(F)(F)F)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccn12
InChIInChI=1S/C27H26F3N3O4S/c1-3-23-22(17-37-24-8-6-5-7-21(24)27(28,29)30)32-25-15-19(13-14-33(23)25)26(34)31-16-18-9-11-20(12-10-18)38(35,36)4-2/h5-15H,3-4,16-17H2,1-2H3,(H,31,34)
InChIKeyYACOZLBLVFDOOE-UHFFFAOYSA-N
MW545.58 g/mol
LogP5.22
Rot. Bonds9

About 3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide

3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 146550283) has the molecular formula C27H26F3N3O4S and a molecular weight of 545.58 g/mol. Its IUPAC name is 3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID146550283
Molecular FormulaC27H26F3N3O4S
Molecular Weight545.58 g/mol
Exact Mass545.16
IUPAC Name3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCCc1c(COc2ccccc2C(F)(F)F)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccn12
InChIInChI=1S/C27H26F3N3O4S/c1-3-23-22(17-37-24-8-6-5-7-21(24)27(28,29)30)32-25-15-19(13-14-33(23)25)26(34)31-16-18-9-11-20(12-10-18)38(35,36)4-2/h5-15H,3-4,16-17H2,1-2H3,(H,31,34)
InChIKeyYACOZLBLVFDOOE-UHFFFAOYSA-N
XLogP5.22
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 146550283) is 3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide is CCc1c(COc2ccccc2C(F)(F)F)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccn12.
What is the InChIKey of 3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is YACOZLBLVFDOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O4S/c1-3-23-22(17-37-24-8-6-5-7-21(24)27(28,29)30)32-25-15-19(13-14-33(23)25)26(34)31-16-18-9-11-20(12-10-18)38(35,36)4-2/h5-15H,3-4,16-17H2,1-2H3,(H,31,34).
What are the key properties of 3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 545.58 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 146550283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).