1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one

C17H14F4N4O2S — CID 134493841

IUPAC1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CC(F)C2)c2cc(-c3csc(C(F)(F)F)c3)cnc21
InChIInChI=1S/C17H14F4N4O2S/c1-23-15-12(25(16(23)27)7-14(26)24-5-11(18)6-24)2-9(4-22-15)10-3-13(28-8-10)17(19,20)21/h2-4,8,11H,5-7H2,1H3
InChIKeyFIBXSIZCDNDBDP-UHFFFAOYSA-N
MW414.38 g/mol
LogP2.66
Rot. Bonds3

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

1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one (PubChem CID 134493841) has the molecular formula C17H14F4N4O2S and a molecular weight of 414.38 g/mol. Its IUPAC name is 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
PubChem CID134493841
Molecular FormulaC17H14F4N4O2S
Molecular Weight414.38 g/mol
Exact Mass414.08
IUPAC Name1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CC(F)C2)c2cc(-c3csc(C(F)(F)F)c3)cnc21
InChIInChI=1S/C17H14F4N4O2S/c1-23-15-12(25(16(23)27)7-14(26)24-5-11(18)6-24)2-9(4-22-15)10-3-13(28-8-10)17(19,20)21/h2-4,8,11H,5-7H2,1H3
InChIKeyFIBXSIZCDNDBDP-UHFFFAOYSA-N
XLogP2.66
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
CID 134493721
ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate
CID 140869572
N,N-dimethyl-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide
CID 134493680
3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one
CID 162607643
N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide
CID 134493655
2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide
CID 134490126
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one
CID 134493948
7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one
CID 22617809
N,N-dimethyl-2-[3-methyl-6-(5-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 134489939
6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 91338533
1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493765

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 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) is 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(=O)N2CC(F)C2)c2cc(-c3csc(C(F)(F)F)c3)cnc21.
What is the InChIKey of 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is FIBXSIZCDNDBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4O2S/c1-23-15-12(25(16(23)27)7-14(26)24-5-11(18)6-24)2-9(4-22-15)10-3-13(28-8-10)17(19,20)21/h2-4,8,11H,5-7H2,1H3.
What are the key properties of 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one?
1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 414.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).