5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid

C24H14F2N4O2 — CID 69032541

IUPAC5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C24H14F2N4O2/c25-16-5-1-13(2-6-16)19-18(14-9-11-27-12-10-14)20(15-3-7-17(26)8-4-15)28-22-21(19)29-30-23(22)24(31)32/h1-12H,(H,29,30)(H,31,32)
InChIKeyQHTKFBOSHFNOOP-UHFFFAOYSA-N
MW428.40 g/mol
LogP5.33
Rot. Bonds4

About 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid

5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid (PubChem CID 69032541) has the molecular formula C24H14F2N4O2 and a molecular weight of 428.40 g/mol. Its IUPAC name is 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid
PubChem CID69032541
Molecular FormulaC24H14F2N4O2
Molecular Weight428.40 g/mol
Exact Mass428.11
IUPAC Name5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C24H14F2N4O2/c25-16-5-1-13(2-6-16)19-18(14-9-11-27-12-10-14)20(15-3-7-17(26)8-4-15)28-22-21(19)29-30-23(22)24(31)32/h1-12H,(H,29,30)(H,31,32)
InChIKeyQHTKFBOSHFNOOP-UHFFFAOYSA-N
XLogP5.33
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.40
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid (CID 69032541) is 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid is O=C(O)c1[nH]nc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid?
The InChIKey is QHTKFBOSHFNOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2N4O2/c25-16-5-1-13(2-6-16)19-18(14-9-11-27-12-10-14)20(15-3-7-17(26)8-4-15)28-22-21(19)29-30-23(22)24(31)32/h1-12H,(H,29,30)(H,31,32).
What are the key properties of 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid?
5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid has a molecular weight of 428.40 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 69032541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).