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

C25H16F2N4O2 — CID 11655136

IUPACmethyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C25H16F2N4O2/c1-33-25(32)24-23-22(30-31-24)20(14-2-6-17(26)7-3-14)19(15-10-12-28-13-11-15)21(29-23)16-4-8-18(27)9-5-16/h2-13H,1H3,(H,30,31)
InChIKeyKZOZFYDTVNCOFK-UHFFFAOYSA-N
MW442.43 g/mol
LogP5.42
Rot. Bonds4

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

methyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate (PubChem CID 11655136) has the molecular formula C25H16F2N4O2 and a molecular weight of 442.43 g/mol. Its IUPAC name is methyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate
PubChem CID11655136
Molecular FormulaC25H16F2N4O2
Molecular Weight442.43 g/mol
Exact Mass442.12
IUPAC Namemethyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C25H16F2N4O2/c1-33-25(32)24-23-22(30-31-24)20(14-2-6-17(26)7-3-14)19(15-10-12-28-13-11-15)21(29-23)16-4-8-18(27)9-5-16/h2-13H,1H3,(H,30,31)
InChIKeyKZOZFYDTVNCOFK-UHFFFAOYSA-N
XLogP5.42
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate (CID 11655136) is methyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate is COC(=O)c1[nH]nc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of methyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate?
The InChIKey is KZOZFYDTVNCOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N4O2/c1-33-25(32)24-23-22(30-31-24)20(14-2-6-17(26)7-3-14)19(15-10-12-28-13-11-15)21(29-23)16-4-8-18(27)9-5-16/h2-13H,1H3,(H,30,31).
What are the key properties of methyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate?
methyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate has a molecular weight of 442.43 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,7-bis(4-fluorophenyl)-6-pyridin-4-yl-2H-pyrazolo[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 11655136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).