5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine

C14H13N3O2S — CID 81137552

IUPAC5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)nc2n1
InChIInChI=1S/C14H13N3O2S/c1-9-3-8-12-14(15-9)17-13(16-12)10-4-6-11(7-5-10)20(2,18)19/h3-8H,1-2H3,(H,15,16,17)
InChIKeyPMBIMMNRRDMBTJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.34
Rot. Bonds2

About 5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine

5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 81137552) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID81137552
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)nc2n1
InChIInChI=1S/C14H13N3O2S/c1-9-3-8-12-14(15-9)17-13(16-12)10-4-6-11(7-5-10)20(2,18)19/h3-8H,1-2H3,(H,15,16,17)
InChIKeyPMBIMMNRRDMBTJ-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (CID 81137552) is 5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is Cc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)nc2n1.
What is the InChIKey of 5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is PMBIMMNRRDMBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9-3-8-12-14(15-9)17-13(16-12)10-4-6-11(7-5-10)20(2,18)19/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 287.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81137552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).