6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine

C12H9F2N3S — CID 166366465

IUPAC6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(-c3csc(C(F)F)c3)cc2[nH]1
InChIInChI=1S/C12H9F2N3S/c1-6-16-9-2-7(4-15-12(9)17-6)8-3-10(11(13)14)18-5-8/h2-5,11H,1H3,(H,15,16,17)
InChIKeyPSJSSFZNKFWCIA-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.93
Rot. Bonds2

About 6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine

6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 166366465) has the molecular formula C12H9F2N3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID166366465
Molecular FormulaC12H9F2N3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(-c3csc(C(F)F)c3)cc2[nH]1
InChIInChI=1S/C12H9F2N3S/c1-6-16-9-2-7(4-15-12(9)17-6)8-3-10(11(13)14)18-5-8/h2-5,11H,1H3,(H,15,16,17)
InChIKeyPSJSSFZNKFWCIA-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine
CID 122567575
6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine
CID 166337715
6-chloro-2-methyl-1H-imidazo[4,5-b]pyridine
CID 18526616
6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 72927700
2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane
CID 172582581
(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)hydrazine
CID 45120675
6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine
CID 155136336
2-methyl-6-[4-(2-piperidin-1-ylethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 167786191
2-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-1H-imidazo[4,5-b]pyridine
CID 67717428
2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine
CID 59533509
2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine
CID 59533552
8-methyl-2-propan-2-yl-7H-purine;molecular hydrogen
CID 155742681

Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine (CID 166366465) is 6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine is Cc1nc2ncc(-c3csc(C(F)F)c3)cc2[nH]1.
What is the InChIKey of 6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is PSJSSFZNKFWCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3S/c1-6-16-9-2-7(4-15-12(9)17-6)8-3-10(11(13)14)18-5-8/h2-5,11H,1H3,(H,15,16,17).
What are the key properties of 6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine?
6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 265.29 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 166366465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).