4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine

C17H15FN6O — CID 162760819

IUPAC4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCOc1nc(-c2nn(C)cc2-c2cc(C)nc3[nH]ncc23)ccc1F
InChIInChI=1S/C17H15FN6O/c1-9-6-10(11-7-19-22-16(11)20-9)12-8-24(2)23-15(12)14-5-4-13(18)17(21-14)25-3/h4-8H,1-3H3,(H,19,20,22)
InChIKeyYNYQABYNHHOMIA-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.88
Rot. Bonds3

About 4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine

4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 162760819) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is 4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
PubChem CID162760819
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCOc1nc(-c2nn(C)cc2-c2cc(C)nc3[nH]ncc23)ccc1F
InChIInChI=1S/C17H15FN6O/c1-9-6-10(11-7-19-22-16(11)20-9)12-8-24(2)23-15(12)14-5-4-13(18)17(21-14)25-3/h4-8H,1-3H3,(H,19,20,22)
InChIKeyYNYQABYNHHOMIA-UHFFFAOYSA-N
XLogP2.88
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (CID 162760819) is 4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is COc1nc(-c2nn(C)cc2-c2cc(C)nc3[nH]ncc23)ccc1F.
What is the InChIKey of 4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is YNYQABYNHHOMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-9-6-10(11-7-19-22-16(11)20-9)12-8-24(2)23-15(12)14-5-4-13(18)17(21-14)25-3/h4-8H,1-3H3,(H,19,20,22).
What are the key properties of 4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 338.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162760819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).