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

C22H16FN5O2 — CID 19552881

IUPAC2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(Cc2nnc(-c3cc4nccc(-c5ccc(F)cc5)n4n3)o2)cc1
InChIInChI=1S/C22H16FN5O2/c1-29-17-8-2-14(3-9-17)12-21-25-26-22(30-21)18-13-20-24-11-10-19(28(20)27-18)15-4-6-16(23)7-5-15/h2-11,13H,12H2,1H3
InChIKeyWWJWWAVLUPTNBI-UHFFFAOYSA-N
MW401.40 g/mol
LogP4.18
Rot. Bonds5

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

2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole (PubChem CID 19552881) has the molecular formula C22H16FN5O2 and a molecular weight of 401.40 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
PubChem CID19552881
Molecular FormulaC22H16FN5O2
Molecular Weight401.40 g/mol
Exact Mass401.13
IUPAC Name2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(Cc2nnc(-c3cc4nccc(-c5ccc(F)cc5)n4n3)o2)cc1
InChIInChI=1S/C22H16FN5O2/c1-29-17-8-2-14(3-9-17)12-21-25-26-22(30-21)18-13-20-24-11-10-19(28(20)27-18)15-4-6-16(23)7-5-15/h2-11,13H,12H2,1H3
InChIKeyWWJWWAVLUPTNBI-UHFFFAOYSA-N
XLogP4.18
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
CID 19552869
7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498306
2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol
CID 135634342
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19550804
methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate
CID 19552851
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
7-(4-fluorophenyl)-N-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4865193
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156
2-[(4-methoxyphenyl)methyl]-7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71705477
2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 58763211
5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole
CID 58763074
2-[3-[(2-bromophenoxy)methyl]phenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19542623

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole (CID 19552881) is 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole is COc1ccc(Cc2nnc(-c3cc4nccc(-c5ccc(F)cc5)n4n3)o2)cc1.
What is the InChIKey of 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is WWJWWAVLUPTNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2/c1-29-17-8-2-14(3-9-17)12-21-25-26-22(30-21)18-13-20-24-11-10-19(28(20)27-18)15-4-6-16(23)7-5-15/h2-11,13H,12H2,1H3.
What are the key properties of 2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 401.40 g/mol, XLogP of 4.18, 5 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-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).