6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine

C21H13FN4O — CID 67014974

IUPAC6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2nc3[nH]ncc3c(-c3ccco3)c2-c2ccncc2)cc1
InChIInChI=1S/C21H13FN4O/c22-15-5-3-14(4-6-15)20-18(13-7-9-23-10-8-13)19(17-2-1-11-27-17)16-12-24-26-21(16)25-20/h1-12H,(H,24,25,26)
InChIKeyAUOVDDQPVBRKQI-UHFFFAOYSA-N
MW356.36 g/mol
LogP5.09
Rot. Bonds3

About 6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine

6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 67014974) has the molecular formula C21H13FN4O and a molecular weight of 356.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine
PubChem CID67014974
Molecular FormulaC21H13FN4O
Molecular Weight356.36 g/mol
Exact Mass356.11
IUPAC Name6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2nc3[nH]ncc3c(-c3ccco3)c2-c2ccncc2)cc1
InChIInChI=1S/C21H13FN4O/c22-15-5-3-14(4-6-15)20-18(13-7-9-23-10-8-13)19(17-2-1-11-27-17)16-12-24-26-21(16)25-20/h1-12H,(H,24,25,26)
InChIKeyAUOVDDQPVBRKQI-UHFFFAOYSA-N
XLogP5.09
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine (CID 67014974) is 6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine is Fc1ccc(-c2nc3[nH]ncc3c(-c3ccco3)c2-c2ccncc2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is AUOVDDQPVBRKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4O/c22-15-5-3-14(4-6-15)20-18(13-7-9-23-10-8-13)19(17-2-1-11-27-17)16-12-24-26-21(16)25-20/h1-12H,(H,24,25,26).
What are the key properties of 6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine?
6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 356.36 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(furan-2-yl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 67014974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).