1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one

C16H15FN4O2S — CID 134489977

IUPAC1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3ccc(F)s3)cnc21
InChIInChI=1S/C16H15FN4O2S/c1-19-15-11(7-10(8-18-15)12-3-4-13(17)24-12)21(16(19)23)9-14(22)20-5-2-6-20/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyAPXQQZMKKRAENC-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.83
Rot. Bonds3

About 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one

1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 134489977) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID134489977
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3ccc(F)s3)cnc21
InChIInChI=1S/C16H15FN4O2S/c1-19-15-11(7-10(8-18-15)12-3-4-13(17)24-12)21(16(19)23)9-14(22)20-5-2-6-20/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyAPXQQZMKKRAENC-UHFFFAOYSA-N
XLogP1.83
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 134489977) is 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3ccc(F)s3)cnc21.
What is the InChIKey of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is APXQQZMKKRAENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-19-15-11(7-10(8-18-15)12-3-4-13(17)24-12)21(16(19)23)9-14(22)20-5-2-6-20/h3-4,7-8H,2,5-6,9H2,1H3.
What are the key properties of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one?
1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 346.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-fluorothiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134489977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).