2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C18H22F3N7O — CID 155974884

IUPAC2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1cn2nc(N3CCN(Cc4nnc(C(F)(F)F)o4)CC3)ccc2n1
InChIInChI=1S/C18H22F3N7O/c1-17(2,3)12-10-28-13(22-12)4-5-14(25-28)27-8-6-26(7-9-27)11-15-23-24-16(29-15)18(19,20)21/h4-5,10H,6-9,11H2,1-3H3
InChIKeyWBPGMHGHRQEQSB-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.75
Rot. Bonds3

About 2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 155974884) has the molecular formula C18H22F3N7O and a molecular weight of 409.42 g/mol. Its IUPAC name is 2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID155974884
Molecular FormulaC18H22F3N7O
Molecular Weight409.42 g/mol
Exact Mass409.18
IUPAC Name2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1cn2nc(N3CCN(Cc4nnc(C(F)(F)F)o4)CC3)ccc2n1
InChIInChI=1S/C18H22F3N7O/c1-17(2,3)12-10-28-13(22-12)4-5-14(25-28)27-8-6-26(7-9-27)11-15-23-24-16(29-15)18(19,20)21/h4-5,10H,6-9,11H2,1-3H3
InChIKeyWBPGMHGHRQEQSB-UHFFFAOYSA-N
XLogP2.75
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 155974884) is 2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is CC(C)(C)c1cn2nc(N3CCN(Cc4nnc(C(F)(F)F)o4)CC3)ccc2n1.
What is the InChIKey of 2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is WBPGMHGHRQEQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N7O/c1-17(2,3)12-10-28-13(22-12)4-5-14(25-28)27-8-6-26(7-9-27)11-15-23-24-16(29-15)18(19,20)21/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 409.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 155974884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).