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

C17H18N4O2S — CID 134489940

IUPAC1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one
SMILESCc1ccc(-c2cnc3c(c2)n(CC(=O)N2CCC2)c(=O)n3C)s1
InChIInChI=1S/C17H18N4O2S/c1-11-4-5-14(24-11)12-8-13-16(18-9-12)19(2)17(23)21(13)10-15(22)20-6-3-7-20/h4-5,8-9H,3,6-7,10H2,1-2H3
InChIKeyTXJXBHIKBDZABF-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.00
Rot. Bonds3

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

1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one (PubChem CID 134489940) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one
PubChem CID134489940
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one
SMILESCc1ccc(-c2cnc3c(c2)n(CC(=O)N2CCC2)c(=O)n3C)s1
InChIInChI=1S/C17H18N4O2S/c1-11-4-5-14(24-11)12-8-13-16(18-9-12)19(2)17(23)21(13)10-15(22)20-6-3-7-20/h4-5,8-9H,3,6-7,10H2,1-2H3
InChIKeyTXJXBHIKBDZABF-UHFFFAOYSA-N
XLogP2.00
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848750
4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 11848968
US10617676, Example 80
CID 134489983
US10617676, Example 93
CID 134489992
US10617676, Example 105
CID 134490001
US10617676, Example 117
CID 134490017
US10617676, Example 408
CID 134490113
GluN2B receptor modulator-1
CID 134493575
US10617676, Example 28
CID 134493680
US10617676, Example 327
CID 134493770
4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-(3-thienyl)azepan-3-yl]piperidine-1-carboxamide
CID 23656749
US10617676, Example 10
CID 134489932

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one (CID 134489940) is 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one is Cc1ccc(-c2cnc3c(c2)n(CC(=O)N2CCC2)c(=O)n3C)s1.
What is the InChIKey of 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is TXJXBHIKBDZABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-4-5-14(24-11)12-8-13-16(18-9-12)19(2)17(23)21(13)10-15(22)20-6-3-7-20/h4-5,8-9H,3,6-7,10H2,1-2H3.
What are the key properties of 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one?
1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 342.42 g/mol, XLogP of 2.00, 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]-3-methyl-6-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134489940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).