2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole

C19H19FN6O — CID 163348839

IUPAC2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole
SMILESCc1nc2ccc(N3CCN(c4nc5ccc(F)cc5o4)CC3)nn2c1C
InChIInChI=1S/C19H19FN6O/c1-12-13(2)26-17(21-12)5-6-18(23-26)24-7-9-25(10-8-24)19-22-15-4-3-14(20)11-16(15)27-19/h3-6,11H,7-10H2,1-2H3
InChIKeyGCSZLWDSDZSDRA-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.95
Rot. Bonds2

About 2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole

2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole (PubChem CID 163348839) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole
PubChem CID163348839
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole
SMILESCc1nc2ccc(N3CCN(c4nc5ccc(F)cc5o4)CC3)nn2c1C
InChIInChI=1S/C19H19FN6O/c1-12-13(2)26-17(21-12)5-6-18(23-26)24-7-9-25(10-8-24)19-22-15-4-3-14(20)11-16(15)27-19/h3-6,11H,7-10H2,1-2H3
InChIKeyGCSZLWDSDZSDRA-UHFFFAOYSA-N
XLogP2.95
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole with MolForge

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Related Compounds

6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
CID 175649082
6-fluoro-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-benzoxazole
CID 126910409
6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole
CID 163357218
6-fluoro-2-(4-methylidenepiperidin-1-yl)-1,3-benzoxazole
CID 172901646
6-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 163348814
6-fluoro-2-[4-(9-methylpurin-6-yl)piperazin-1-yl]-1,3-benzoxazole
CID 154853693
2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole
CID 56778006
6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole
CID 171995742
[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 163352851
2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole
CID 70745553
6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine
CID 163348421
6-fluoro-2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-1,3-benzoxazole
CID 171996704

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole?
The IUPAC name of 2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole (CID 163348839) is 2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole is Cc1nc2ccc(N3CCN(c4nc5ccc(F)cc5o4)CC3)nn2c1C.
What is the InChIKey of 2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole?
The InChIKey is GCSZLWDSDZSDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-12-13(2)26-17(21-12)5-6-18(23-26)24-7-9-25(10-8-24)19-22-15-4-3-14(20)11-16(15)27-19/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole?
2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole has a molecular weight of 366.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole is sourced from PubChem (CID 163348839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).