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

C19H20N4O2S — CID 134490001

IUPAC1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3ccc(C4CC4)s3)cnc21
InChIInChI=1S/C19H20N4O2S/c1-21-18-14(23(19(21)25)11-17(24)22-7-2-8-22)9-13(10-20-18)16-6-5-15(26-16)12-3-4-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyTXWLNTCKUQQLSG-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.57
Rot. Bonds4

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

1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 134490001) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID134490001
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3ccc(C4CC4)s3)cnc21
InChIInChI=1S/C19H20N4O2S/c1-21-18-14(23(19(21)25)11-17(24)22-7-2-8-22)9-13(10-20-18)16-6-5-15(26-16)12-3-4-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyTXWLNTCKUQQLSG-UHFFFAOYSA-N
XLogP2.57
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.57
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-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 134490001) is 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-cyclopropylthiophen-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-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3ccc(C4CC4)s3)cnc21.
What is the InChIKey of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is TXWLNTCKUQQLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-21-18-14(23(19(21)25)11-17(24)22-7-2-8-22)9-13(10-20-18)16-6-5-15(26-16)12-3-4-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3.
What are the key properties of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one?
1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(5-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 368.46 g/mol, XLogP of 2.57, 4 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-cyclopropylthiophen-2-yl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134490001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).