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

C20H13F3N6O — CID 19550582

IUPAC2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
SMILESCc1ccc2nc(-c3nnc(-c4cc5nc(C)cc(C(F)(F)F)n5n4)o3)ccc2c1
InChIInChI=1S/C20H13F3N6O/c1-10-3-5-13-12(7-10)4-6-14(25-13)18-26-27-19(30-18)15-9-17-24-11(2)8-16(20(21,22)23)29(17)28-15/h3-9H,1-2H3
InChIKeyTWZAVZZKFAXFHM-UHFFFAOYSA-N
MW410.36 g/mol
LogP4.63
Rot. Bonds2

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

2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole (PubChem CID 19550582) has the molecular formula C20H13F3N6O and a molecular weight of 410.36 g/mol. Its IUPAC name is 2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
PubChem CID19550582
Molecular FormulaC20H13F3N6O
Molecular Weight410.36 g/mol
Exact Mass410.11
IUPAC Name2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
SMILESCc1ccc2nc(-c3nnc(-c4cc5nc(C)cc(C(F)(F)F)n5n4)o3)ccc2c1
InChIInChI=1S/C20H13F3N6O/c1-10-3-5-13-12(7-10)4-6-14(25-13)18-26-27-19(30-18)15-9-17-24-11(2)8-16(20(21,22)23)29(17)28-15/h3-9H,1-2H3
InChIKeyTWZAVZZKFAXFHM-UHFFFAOYSA-N
XLogP4.63
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole (CID 19550582) is 2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole is Cc1ccc2nc(-c3nnc(-c4cc5nc(C)cc(C(F)(F)F)n5n4)o3)ccc2c1.
What is the InChIKey of 2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is TWZAVZZKFAXFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6O/c1-10-3-5-13-12(7-10)4-6-14(25-13)18-26-27-19(30-18)15-9-17-24-11(2)8-16(20(21,22)23)29(17)28-15/h3-9H,1-2H3.
What are the key properties of 2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 410.36 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylquinolin-2-yl)-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 19550582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).