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

C16H14F3N5O2S — CID 134493766

IUPAC1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3csc(C(F)(F)F)n3)cnc21
InChIInChI=1S/C16H14F3N5O2S/c1-22-13-11(24(15(22)26)7-12(25)23-3-2-4-23)5-9(6-20-13)10-8-27-14(21-10)16(17,18)19/h5-6,8H,2-4,7H2,1H3
InChIKeyVWALSSPVOYJSFK-UHFFFAOYSA-N
MW397.38 g/mol
LogP2.11
Rot. Bonds3

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

1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one (PubChem CID 134493766) has the molecular formula C16H14F3N5O2S and a molecular weight of 397.38 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one
PubChem CID134493766
Molecular FormulaC16H14F3N5O2S
Molecular Weight397.38 g/mol
Exact Mass397.08
IUPAC Name1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3csc(C(F)(F)F)n3)cnc21
InChIInChI=1S/C16H14F3N5O2S/c1-22-13-11(24(15(22)26)7-12(25)23-3-2-4-23)5-9(6-20-13)10-8-27-14(21-10)16(17,18)19/h5-6,8H,2-4,7H2,1H3
InChIKeyVWALSSPVOYJSFK-UHFFFAOYSA-N
XLogP2.11
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 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) is 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3csc(C(F)(F)F)n3)cnc21.
What is the InChIKey of 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is VWALSSPVOYJSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2S/c1-22-13-11(24(15(22)26)7-12(25)23-3-2-4-23)5-9(6-20-13)10-8-27-14(21-10)16(17,18)19/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one?
1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 397.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).