6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine

C12H9F2N3S — CID 166337715

IUPAC6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine
SMILESCn1ncc2ncc(-c3csc(C(F)F)c3)cc21
InChIInChI=1S/C12H9F2N3S/c1-17-10-2-7(4-15-9(10)5-16-17)8-3-11(12(13)14)18-6-8/h2-6,12H,1H3
InChIKeyDBAUSVAVMVUTRG-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.63
Rot. Bonds2

About 6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine

6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine (PubChem CID 166337715) has the molecular formula C12H9F2N3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine
PubChem CID166337715
Molecular FormulaC12H9F2N3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine
SMILESCn1ncc2ncc(-c3csc(C(F)F)c3)cc21
InChIInChI=1S/C12H9F2N3S/c1-17-10-2-7(4-15-9(10)5-16-17)8-3-11(12(13)14)18-6-8/h2-6,12H,1H3
InChIKeyDBAUSVAVMVUTRG-UHFFFAOYSA-N
XLogP3.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine (CID 166337715) is 6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine is Cn1ncc2ncc(-c3csc(C(F)F)c3)cc21.
What is the InChIKey of 6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine?
The InChIKey is DBAUSVAVMVUTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3S/c1-17-10-2-7(4-15-9(10)5-16-17)8-3-11(12(13)14)18-6-8/h2-6,12H,1H3.
What are the key properties of 6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine?
6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine has a molecular weight of 265.29 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethyl)thiophen-3-yl]-1-methylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 166337715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).