N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide

C20H16F3N5O4S — CID 162532654

IUPACN-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCOc1ccccc1S(C)(=O)=NC(=O)Cc1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1
InChIInChI=1S/C20H16F3N5O4S/c1-31-14-5-3-4-6-15(14)33(2,30)27-17(29)9-13-11-28-10-12(7-8-16(28)24-13)18-25-19(32-26-18)20(21,22)23/h3-8,10-11H,9H2,1-2H3
InChIKeyITWJLHPBJLKUQU-UHFFFAOYSA-N
MW479.44 g/mol
LogP3.64
Rot. Bonds5

About N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide

N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 162532654) has the molecular formula C20H16F3N5O4S and a molecular weight of 479.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID162532654
Molecular FormulaC20H16F3N5O4S
Molecular Weight479.44 g/mol
Exact Mass479.09
IUPAC NameN-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCOc1ccccc1S(C)(=O)=NC(=O)Cc1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1
InChIInChI=1S/C20H16F3N5O4S/c1-31-14-5-3-4-6-15(14)33(2,30)27-17(29)9-13-11-28-10-12(7-8-16(28)24-13)18-25-19(32-26-18)20(21,22)23/h3-8,10-11H,9H2,1-2H3
InChIKeyITWJLHPBJLKUQU-UHFFFAOYSA-N
XLogP3.64
TPSA111.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(methyl-oxo-phenyl-λ6-sulfanylidene)-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 162532721
2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide
CID 162532745
(4-methoxyphenyl)methyl-methyl-oxo-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino]-λ6-sulfane
CID 164518409
N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide
CID 155193306
ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142598078
N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 155269172
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
N-[(3-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139370099
N-(2-methoxyethyl-methyl-oxo-λ6-sulfanylidene)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 155269148
2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide
CID 162532733
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
N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139370013

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide (CID 162532654) is N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide is COc1ccccc1S(C)(=O)=NC(=O)Cc1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1.
What is the InChIKey of N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is ITWJLHPBJLKUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O4S/c1-31-14-5-3-4-6-15(14)33(2,30)27-17(29)9-13-11-28-10-12(7-8-16(28)24-13)18-25-19(32-26-18)20(21,22)23/h3-8,10-11H,9H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide?
N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 479.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 162532654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).