4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine

C23H14F2N4 — CID 11961374

IUPAC4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2nc3[nH]ncc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H14F2N4/c24-17-5-1-14(2-6-17)20-19-13-27-29-23(19)28-22(16-3-7-18(25)8-4-16)21(20)15-9-11-26-12-10-15/h1-13H,(H,27,28,29)
InChIKeyQWOODJDZURZLML-UHFFFAOYSA-N
MW384.39 g/mol
LogP5.63
Rot. Bonds3

About 4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine

4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 11961374) has the molecular formula C23H14F2N4 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine
PubChem CID11961374
Molecular FormulaC23H14F2N4
Molecular Weight384.39 g/mol
Exact Mass384.12
IUPAC Name4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2nc3[nH]ncc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H14F2N4/c24-17-5-1-14(2-6-17)20-19-13-27-29-23(19)28-22(16-3-7-18(25)8-4-16)21(20)15-9-11-26-12-10-15/h1-13H,(H,27,28,29)
InChIKeyQWOODJDZURZLML-UHFFFAOYSA-N
XLogP5.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.39
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine (CID 11961374) is 4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine is Fc1ccc(-c2nc3[nH]ncc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is QWOODJDZURZLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N4/c24-17-5-1-14(2-6-17)20-19-13-27-29-23(19)28-22(16-3-7-18(25)8-4-16)21(20)15-9-11-26-12-10-15/h1-13H,(H,27,28,29).
What are the key properties of 4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine?
4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 384.39 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 11961374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).