1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one

C9H11N3OS — CID 10036000

IUPAC1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one
SMILESCSc1nc2[nH]c(=O)c(C)cc2n1C
InChIInChI=1S/C9H11N3OS/c1-5-4-6-7(10-8(5)13)11-9(14-3)12(6)2/h4H,1-3H3,(H,10,13)
InChIKeyCXDLQFZWALSIBF-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.29
Rot. Bonds1

About 1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one

1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 10036000) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID10036000
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one
SMILESCSc1nc2[nH]c(=O)c(C)cc2n1C
InChIInChI=1S/C9H11N3OS/c1-5-4-6-7(10-8(5)13)11-9(14-3)12(6)2/h4H,1-3H3,(H,10,13)
InChIKeyCXDLQFZWALSIBF-UHFFFAOYSA-N
XLogP1.29
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one (CID 10036000) is 1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one is CSc1nc2[nH]c(=O)c(C)cc2n1C.
What is the InChIKey of 1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is CXDLQFZWALSIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-5-4-6-7(10-8(5)13)11-9(14-3)12(6)2/h4H,1-3H3,(H,10,13).
What are the key properties of 1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one?
1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 209.27 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 10036000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).