N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine

C23H25FN6O — CID 170593586

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(NC5CCN6CCCC6C5)oc4c3)cc(C)c2n1
InChIInChI=1S/C23H25FN6O/c1-13-8-19(28-30-12-14(2)25-22(13)30)15-9-18(24)21-20(10-15)31-23(27-21)26-16-5-7-29-6-3-4-17(29)11-16/h8-10,12,16-17H,3-7,11H2,1-2H3,(H,26,27)
InChIKeyIIAMKHFSWSITDE-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.33
Rot. Bonds3

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine (PubChem CID 170593586) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
PubChem CID170593586
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(NC5CCN6CCCC6C5)oc4c3)cc(C)c2n1
InChIInChI=1S/C23H25FN6O/c1-13-8-19(28-30-12-14(2)25-22(13)30)15-9-18(24)21-20(10-15)31-23(27-21)26-16-5-7-29-6-3-4-17(29)11-16/h8-10,12,16-17H,3-7,11H2,1-2H3,(H,26,27)
InChIKeyIIAMKHFSWSITDE-UHFFFAOYSA-N
XLogP4.33
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine (CID 170593586) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-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-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine is Cc1cn2nc(-c3cc(F)c4nc(NC5CCN6CCCC6C5)oc4c3)cc(C)c2n1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is IIAMKHFSWSITDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-13-8-19(28-30-12-14(2)25-22(13)30)15-9-18(24)21-20(10-15)31-23(27-21)26-16-5-7-29-6-3-4-17(29)11-16/h8-10,12,16-17H,3-7,11H2,1-2H3,(H,26,27).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 420.49 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 170593586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).