6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine

C21H23FN6O — CID 170593997

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(NC5CCN(C)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C21H23FN6O/c1-12-8-17(26-28-11-13(2)23-20(12)28)14-9-16(22)19-18(10-14)29-21(25-19)24-15-4-6-27(3)7-5-15/h8-11,15H,4-7H2,1-3H3,(H,24,25)
InChIKeyVRLMORPTFGEVIA-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.80
Rot. Bonds3

About 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine (PubChem CID 170593997) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine
PubChem CID170593997
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(NC5CCN(C)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C21H23FN6O/c1-12-8-17(26-28-11-13(2)23-20(12)28)14-9-16(22)19-18(10-14)29-21(25-19)24-15-4-6-27(3)7-5-15/h8-11,15H,4-7H2,1-3H3,(H,24,25)
InChIKeyVRLMORPTFGEVIA-UHFFFAOYSA-N
XLogP3.80
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine (CID 170593997) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine is Cc1cn2nc(-c3cc(F)c4nc(NC5CCN(C)CC5)oc4c3)cc(C)c2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine?
The InChIKey is VRLMORPTFGEVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-12-8-17(26-28-11-13(2)23-20(12)28)14-9-16(22)19-18(10-14)29-21(25-19)24-15-4-6-27(3)7-5-15/h8-11,15H,4-7H2,1-3H3,(H,24,25).
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine has a molecular weight of 394.45 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 170593997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).