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

C18H17FN6 — CID 162760930

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2cn(C(C)C)nc2-c2ccc(F)cn2)c2cn[nH]c2n1
InChIInChI=1S/C18H17FN6/c1-10(2)25-9-15(17(24-25)16-5-4-12(19)7-20-16)13-6-11(3)22-18-14(13)8-21-23-18/h4-10H,1-3H3,(H,21,22,23)
InChIKeyCKCAOZBYGDTRBU-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.91
Rot. Bonds3

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

4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 162760930) has the molecular formula C18H17FN6 and a molecular weight of 336.37 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
PubChem CID162760930
Molecular FormulaC18H17FN6
Molecular Weight336.37 g/mol
Exact Mass336.15
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2cn(C(C)C)nc2-c2ccc(F)cn2)c2cn[nH]c2n1
InChIInChI=1S/C18H17FN6/c1-10(2)25-9-15(17(24-25)16-5-4-12(19)7-20-16)13-6-11(3)22-18-14(13)8-21-23-18/h4-10H,1-3H3,(H,21,22,23)
InChIKeyCKCAOZBYGDTRBU-UHFFFAOYSA-N
XLogP3.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (CID 162760930) is 4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is Cc1cc(-c2cn(C(C)C)nc2-c2ccc(F)cn2)c2cn[nH]c2n1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is CKCAOZBYGDTRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6/c1-10(2)25-9-15(17(24-25)16-5-4-12(19)7-20-16)13-6-11(3)22-18-14(13)8-21-23-18/h4-10H,1-3H3,(H,21,22,23).
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 336.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162760930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).