6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

C31H23FN4O — CID 10435507

IUPAC6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
SMILESCn1cc2c(-c3ccc(OCc4ccccc4)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C31H23FN4O/c1-36-19-27-28(22-9-13-26(14-10-22)37-20-21-5-3-2-4-6-21)29(23-15-17-33-18-16-23)30(34-31(27)35-36)24-7-11-25(32)12-8-24/h2-19H,20H2,1H3
InChIKeyATGFKHBWJIVGAY-UHFFFAOYSA-N
MW486.55 g/mol
LogP7.08
Rot. Bonds6

About 6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine (PubChem CID 10435507) has the molecular formula C31H23FN4O and a molecular weight of 486.55 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
PubChem CID10435507
Molecular FormulaC31H23FN4O
Molecular Weight486.55 g/mol
Exact Mass486.19
IUPAC Name6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
SMILESCn1cc2c(-c3ccc(OCc4ccccc4)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C31H23FN4O/c1-36-19-27-28(22-9-13-26(14-10-22)37-20-21-5-3-2-4-6-21)29(23-15-17-33-18-16-23)30(34-31(27)35-36)24-7-11-25(32)12-8-24/h2-19H,20H2,1H3
InChIKeyATGFKHBWJIVGAY-UHFFFAOYSA-N
XLogP7.08
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine (CID 10435507) is 6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine is Cn1cc2c(-c3ccc(OCc4ccccc4)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of 6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The InChIKey is ATGFKHBWJIVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23FN4O/c1-36-19-27-28(22-9-13-26(14-10-22)37-20-21-5-3-2-4-6-21)29(23-15-17-33-18-16-23)30(34-31(27)35-36)24-7-11-25(32)12-8-24/h2-19H,20H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine has a molecular weight of 486.55 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-methyl-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 10435507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).