2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole

C18H10F4N8O — CID 162722238

IUPAC2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)cc(F)c1Cn1cc(-c2cnc3cccnn23)nn1
InChIInChI=1S/C18H10F4N8O/c19-11-4-9(17-26-27-18(31-17)16(21)22)5-12(20)10(11)7-29-8-13(25-28-29)14-6-23-15-2-1-3-24-30(14)15/h1-6,8,16H,7H2
InChIKeyVPYVSTGTWVUYEI-UHFFFAOYSA-N
MW430.33 g/mol
LogP3.30
Rot. Bonds5

About 2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole

2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 162722238) has the molecular formula C18H10F4N8O and a molecular weight of 430.33 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID162722238
Molecular FormulaC18H10F4N8O
Molecular Weight430.33 g/mol
Exact Mass430.09
IUPAC Name2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)cc(F)c1Cn1cc(-c2cnc3cccnn23)nn1
InChIInChI=1S/C18H10F4N8O/c19-11-4-9(17-26-27-18(31-17)16(21)22)5-12(20)10(11)7-29-8-13(25-28-29)14-6-23-15-2-1-3-24-30(14)15/h1-6,8,16H,7H2
InChIKeyVPYVSTGTWVUYEI-UHFFFAOYSA-N
XLogP3.30
TPSA99.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole (CID 162722238) is 2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole is Fc1cc(-c2nnc(C(F)F)o2)cc(F)c1Cn1cc(-c2cnc3cccnn23)nn1.
What is the InChIKey of 2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is VPYVSTGTWVUYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4N8O/c19-11-4-9(17-26-27-18(31-17)16(21)22)5-12(20)10(11)7-29-8-13(25-28-29)14-6-23-15-2-1-3-24-30(14)15/h1-6,8,16H,7H2.
What are the key properties of 2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 430.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 162722238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).