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

C21H22FN5O — CID 170393920

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCN(C)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C21H22FN5O/c1-12-8-17(25-27-11-13(2)23-20(12)27)15-9-16(22)19-18(10-15)28-21(24-19)14-4-6-26(3)7-5-14/h8-11,14H,4-7H2,1-3H3
InChIKeyANHJLEIMMMZHKU-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.10
Rot. Bonds2

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

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole (PubChem CID 170393920) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole
PubChem CID170393920
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCN(C)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C21H22FN5O/c1-12-8-17(25-27-11-13(2)23-20(12)27)15-9-16(22)19-18(10-15)28-21(24-19)14-4-6-26(3)7-5-14/h8-11,14H,4-7H2,1-3H3
InChIKeyANHJLEIMMMZHKU-UHFFFAOYSA-N
XLogP4.10
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole (CID 170393920) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole is Cc1cn2nc(-c3cc(F)c4nc(C5CCN(C)CC5)oc4c3)cc(C)c2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole?
The InChIKey is ANHJLEIMMMZHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-12-8-17(25-27-11-13(2)23-20(12)27)15-9-16(22)19-18(10-15)28-21(24-19)14-4-6-26(3)7-5-14/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole has a molecular weight of 379.44 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1-methylpiperidin-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 170393920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).