6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine

C18H14FN5S — CID 11725503

IUPAC6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine
SMILESCSc1nccc(-c2cc3cn(C)nc3nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14FN5S/c1-24-10-12-9-14(15-7-8-20-18(21-15)25-2)16(22-17(12)23-24)11-3-5-13(19)6-4-11/h3-10H,1-2H3
InChIKeyYENVFQRRZHXTFC-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.95
Rot. Bonds3

About 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine

6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine (PubChem CID 11725503) has the molecular formula C18H14FN5S and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine
PubChem CID11725503
Molecular FormulaC18H14FN5S
Molecular Weight351.41 g/mol
Exact Mass351.10
IUPAC Name6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine
SMILESCSc1nccc(-c2cc3cn(C)nc3nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14FN5S/c1-24-10-12-9-14(15-7-8-20-18(21-15)25-2)16(22-17(12)23-24)11-3-5-13(19)6-4-11/h3-10H,1-2H3
InChIKeyYENVFQRRZHXTFC-UHFFFAOYSA-N
XLogP3.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine (CID 11725503) is 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine is CSc1nccc(-c2cc3cn(C)nc3nc2-c2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine?
The InChIKey is YENVFQRRZHXTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5S/c1-24-10-12-9-14(15-7-8-20-18(21-15)25-2)16(22-17(12)23-24)11-3-5-13(19)6-4-11/h3-10H,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine?
6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine has a molecular weight of 351.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 11725503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).