N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

C18H11ClF3N5O3S — CID 162532699

IUPACN-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCS(=O)(=NC(=O)c1cn2ccc(-c3noc(C(F)(F)F)n3)cc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClF3N5O3S/c1-31(29,12-4-2-11(19)3-5-12)26-16(28)13-9-27-7-6-10(8-14(27)23-13)15-24-17(30-25-15)18(20,21)22/h2-9H,1H3
InChIKeyZCFFWCMLSBSJFV-UHFFFAOYSA-N
MW469.83 g/mol
LogP4.35
Rot. Bonds3

About N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162532699) has the molecular formula C18H11ClF3N5O3S and a molecular weight of 469.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162532699
Molecular FormulaC18H11ClF3N5O3S
Molecular Weight469.83 g/mol
Exact Mass469.02
IUPAC NameN-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCS(=O)(=NC(=O)c1cn2ccc(-c3noc(C(F)(F)F)n3)cc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClF3N5O3S/c1-31(29,12-4-2-11(19)3-5-12)26-16(28)13-9-27-7-6-10(8-14(27)23-13)15-24-17(30-25-15)18(20,21)22/h2-9H,1H3
InChIKeyZCFFWCMLSBSJFV-UHFFFAOYSA-N
XLogP4.35
TPSA102.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.83
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532736
N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532704
7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532666
7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[[3-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532678
N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)-7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532643
tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane
CID 164518360
N-(2-methoxyethyl)-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532709
3-fluoro-N-[methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfanylidene]benzamide
CID 146264395
methyl-oxo-pyridin-2-yl-[[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino]-λ6-sulfane
CID 164518377
(4-chlorophenyl)-methyl-oxo-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylimino]-λ6-sulfane
CID 155269165
7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532689
N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)-2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 162532742

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162532699) is N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is CS(=O)(=NC(=O)c1cn2ccc(-c3noc(C(F)(F)F)n3)cc2n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ZCFFWCMLSBSJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N5O3S/c1-31(29,12-4-2-11(19)3-5-12)26-16(28)13-9-27-7-6-10(8-14(27)23-13)15-24-17(30-25-15)18(20,21)22/h2-9H,1H3.
What are the key properties of N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 469.83 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162532699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).