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

C24H27FN6O — CID 170594005

IUPACN-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(NC5CCN(C6CCC6)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C24H27FN6O/c1-14-10-20(29-31-13-15(2)26-23(14)31)16-11-19(25)22-21(12-16)32-24(28-22)27-17-6-8-30(9-7-17)18-4-3-5-18/h10-13,17-18H,3-9H2,1-2H3,(H,27,28)
InChIKeyGSJDWFFSZOYRBL-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.72
Rot. Bonds4

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

N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine (PubChem CID 170594005) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
PubChem CID170594005
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC NameN-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(NC5CCN(C6CCC6)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C24H27FN6O/c1-14-10-20(29-31-13-15(2)26-23(14)31)16-11-19(25)22-21(12-16)32-24(28-22)27-17-6-8-30(9-7-17)18-4-3-5-18/h10-13,17-18H,3-9H2,1-2H3,(H,27,28)
InChIKeyGSJDWFFSZOYRBL-UHFFFAOYSA-N
XLogP4.72
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-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 N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine (CID 170594005) is N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine is Cc1cn2nc(-c3cc(F)c4nc(NC5CCN(C6CCC6)CC5)oc4c3)cc(C)c2n1.
What is the InChIKey of N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is GSJDWFFSZOYRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-14-10-20(29-31-13-15(2)26-23(14)31)16-11-19(25)22-21(12-16)32-24(28-22)27-17-6-8-30(9-7-17)18-4-3-5-18/h10-13,17-18H,3-9H2,1-2H3,(H,27,28).
What are the key properties of N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine?
N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 434.52 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 170594005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).