2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole

C24H15FN6O — CID 19552869

IUPAC2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc2nc(-c3nnc(-c4cc5nccc(-c6ccc(F)cc6)n5n4)o3)ccc2c1
InChIInChI=1S/C24H15FN6O/c1-14-2-8-18-16(12-14)5-9-19(27-18)23-28-29-24(32-23)20-13-22-26-11-10-21(31(22)30-20)15-3-6-17(25)7-4-15/h2-13H,1H3
InChIKeyDEAXREPDRCMGKF-UHFFFAOYSA-N
MW422.42 g/mol
LogP5.11
Rot. Bonds3

About 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole

2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole (PubChem CID 19552869) has the molecular formula C24H15FN6O and a molecular weight of 422.42 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
PubChem CID19552869
Molecular FormulaC24H15FN6O
Molecular Weight422.42 g/mol
Exact Mass422.13
IUPAC Name2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc2nc(-c3nnc(-c4cc5nccc(-c6ccc(F)cc6)n5n4)o3)ccc2c1
InChIInChI=1S/C24H15FN6O/c1-14-2-8-18-16(12-14)5-9-19(27-18)23-28-29-24(32-23)20-13-22-26-11-10-21(31(22)30-20)15-3-6-17(25)7-4-15/h2-13H,1H3
InChIKeyDEAXREPDRCMGKF-UHFFFAOYSA-N
XLogP5.11
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.42
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole (CID 19552869) is 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole is Cc1ccc2nc(-c3nnc(-c4cc5nccc(-c6ccc(F)cc6)n5n4)o3)ccc2c1.
What is the InChIKey of 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
The InChIKey is DEAXREPDRCMGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6O/c1-14-2-8-18-16(12-14)5-9-19(27-18)23-28-29-24(32-23)20-13-22-26-11-10-21(31(22)30-20)15-3-6-17(25)7-4-15/h2-13H,1H3.
What are the key properties of 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole has a molecular weight of 422.42 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 19552869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).