6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine

C16H11F3N6 — CID 162760937

IUPAC6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine
SMILESCn1cc(-c2cc(C(F)F)nc3[nH]ncc23)c(-c2cncc(F)c2)n1
InChIInChI=1S/C16H11F3N6/c1-25-7-12(14(24-25)8-2-9(17)5-20-4-8)10-3-13(15(18)19)22-16-11(10)6-21-23-16/h2-7,15H,1H3,(H,21,22,23)
InChIKeyCLZWZRDFKORDOJ-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.50
Rot. Bonds3

About 6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine

6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine (PubChem CID 162760937) has the molecular formula C16H11F3N6 and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine
PubChem CID162760937
Molecular FormulaC16H11F3N6
Molecular Weight344.30 g/mol
Exact Mass344.10
IUPAC Name6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine
SMILESCn1cc(-c2cc(C(F)F)nc3[nH]ncc23)c(-c2cncc(F)c2)n1
InChIInChI=1S/C16H11F3N6/c1-25-7-12(14(24-25)8-2-9(17)5-20-4-8)10-3-13(15(18)19)22-16-11(10)6-21-23-16/h2-7,15H,1H3,(H,21,22,23)
InChIKeyCLZWZRDFKORDOJ-UHFFFAOYSA-N
XLogP3.50
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine (CID 162760937) is 6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine is Cn1cc(-c2cc(C(F)F)nc3[nH]ncc23)c(-c2cncc(F)c2)n1.
What is the InChIKey of 6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is CLZWZRDFKORDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6/c1-25-7-12(14(24-25)8-2-9(17)5-20-4-8)10-3-13(15(18)19)22-16-11(10)6-21-23-16/h2-7,15H,1H3,(H,21,22,23).
What are the key properties of 6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine?
6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 344.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-[3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 162760937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).