3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one

C14H11F3N4O2S — CID 162607643

IUPAC3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one
SMILESCC(=O)Cn1c(=O)n(C)c2ncc(-c3cnc(C(F)(F)F)s3)cc21
InChIInChI=1S/C14H11F3N4O2S/c1-7(22)6-21-9-3-8(4-18-11(9)20(2)13(21)23)10-5-19-12(24-10)14(15,16)17/h3-5H,6H2,1-2H3
InChIKeyQHNMOIVFUCWUHL-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.47
Rot. Bonds3

About 3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one

3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one (PubChem CID 162607643) has the molecular formula C14H11F3N4O2S and a molecular weight of 356.33 g/mol. Its IUPAC name is 3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one
PubChem CID162607643
Molecular FormulaC14H11F3N4O2S
Molecular Weight356.33 g/mol
Exact Mass356.06
IUPAC Name3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one
SMILESCC(=O)Cn1c(=O)n(C)c2ncc(-c3cnc(C(F)(F)F)s3)cc21
InChIInChI=1S/C14H11F3N4O2S/c1-7(22)6-21-9-3-8(4-18-11(9)20(2)13(21)23)10-5-19-12(24-10)14(15,16)17/h3-5H,6H2,1-2H3
InChIKeyQHNMOIVFUCWUHL-UHFFFAOYSA-N
XLogP2.47
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide
CID 134493680
ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate
CID 140869572
1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one
CID 134493766
N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide
CID 134493655
N,N-dimethyl-2-[3-methyl-6-(5-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 134489939
1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
CID 134493841
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one
CID 134493948
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-one
CID 106784127
2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide
CID 134490126
2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid
CID 114026517
(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]propanamide
CID 118961352
6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one
CID 134490165

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one (CID 162607643) is 3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one is CC(=O)Cn1c(=O)n(C)c2ncc(-c3cnc(C(F)(F)F)s3)cc21.
What is the InChIKey of 3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is QHNMOIVFUCWUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2S/c1-7(22)6-21-9-3-8(4-18-11(9)20(2)13(21)23)10-5-19-12(24-10)14(15,16)17/h3-5H,6H2,1-2H3.
What are the key properties of 3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one?
3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 356.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 162607643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).