4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine

C22H12F2N4O — CID 132537703

IUPAC4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine
SMILESFc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(F)cc3)c3nonc23)cc1
InChIInChI=1S/C22H12F2N4O/c23-16-7-3-13(4-8-16)18-19(15-2-1-11-25-12-15)26-20(22-21(18)27-29-28-22)14-5-9-17(24)10-6-14/h1-12H
InChIKeyDZRBDYOPEQAPHZ-UHFFFAOYSA-N
MW386.36 g/mol
LogP5.29
Rot. Bonds3

About 4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine

4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine (PubChem CID 132537703) has the molecular formula C22H12F2N4O and a molecular weight of 386.36 g/mol. Its IUPAC name is 4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine
PubChem CID132537703
Molecular FormulaC22H12F2N4O
Molecular Weight386.36 g/mol
Exact Mass386.10
IUPAC Name4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine
SMILESFc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(F)cc3)c3nonc23)cc1
InChIInChI=1S/C22H12F2N4O/c23-16-7-3-13(4-8-16)18-19(15-2-1-11-25-12-15)26-20(22-21(18)27-29-28-22)14-5-9-17(24)10-6-14/h1-12H
InChIKeyDZRBDYOPEQAPHZ-UHFFFAOYSA-N
XLogP5.29
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.36
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
3-[4-(4-fluorophenoxy)phenyl]pyridine
CID 91298278
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
3-(4-fluorophenyl)-2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
CID 44573123
4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole
CID 134141433
5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine
CID 67430647
3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine
CID 59384918
4-(4-bromophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole
CID 58833244
5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridin-3-ylpyridine
CID 169294016
3-azulen-6-ylpyridine
CID 86232079
2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin
CID 136880979
5-fluoro-2,3-dipyridin-3-ylpyridine
CID 46316529

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine?
The IUPAC name of 4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine (CID 132537703) is 4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine.
What is the SMILES notation for 4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine?
The canonical SMILES for 4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine is Fc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(F)cc3)c3nonc23)cc1.
What is the InChIKey of 4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine?
The InChIKey is DZRBDYOPEQAPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F2N4O/c23-16-7-3-13(4-8-16)18-19(15-2-1-11-25-12-15)26-20(22-21(18)27-29-28-22)14-5-9-17(24)10-6-14/h1-12H.
What are the key properties of 4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine?
4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine has a molecular weight of 386.36 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine is sourced from PubChem (CID 132537703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).