5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole

C18H22N6O — CID 155974924

IUPAC5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cn2nc(N3CCN(Cc4cc(C5CC5)on4)CC3)ccc2n1
InChIInChI=1S/C18H22N6O/c1-13-11-24-17(19-13)4-5-18(20-24)23-8-6-22(7-9-23)12-15-10-16(25-21-15)14-2-3-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3
InChIKeyUZYVCFVWYMVBDG-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.23
Rot. Bonds4

About 5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole

5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 155974924) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID155974924
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cn2nc(N3CCN(Cc4cc(C5CC5)on4)CC3)ccc2n1
InChIInChI=1S/C18H22N6O/c1-13-11-24-17(19-13)4-5-18(20-24)23-8-6-22(7-9-23)12-15-10-16(25-21-15)14-2-3-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3
InChIKeyUZYVCFVWYMVBDG-UHFFFAOYSA-N
XLogP2.23
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 155974924) is 5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1cn2nc(N3CCN(Cc4cc(C5CC5)on4)CC3)ccc2n1.
What is the InChIKey of 5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is UZYVCFVWYMVBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-11-24-17(19-13)4-5-18(20-24)23-8-6-22(7-9-23)12-15-10-16(25-21-15)14-2-3-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3.
What are the key properties of 5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 338.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 155974924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).