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

C22H24FN5O — CID 170593549

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole
SMILESCc1cn2nc(-c3cc(F)c4nc(CC5CCN(C)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C22H24FN5O/c1-13-8-18(26-28-12-14(2)24-22(13)28)16-10-17(23)21-19(11-16)29-20(25-21)9-15-4-6-27(3)7-5-15/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyQQPBQPRCMKPPFU-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.18
Rot. Bonds3

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

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole (PubChem CID 170593549) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole
PubChem CID170593549
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole
SMILESCc1cn2nc(-c3cc(F)c4nc(CC5CCN(C)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C22H24FN5O/c1-13-8-18(26-28-12-14(2)24-22(13)28)16-10-17(23)21-19(11-16)29-20(25-21)9-15-4-6-27(3)7-5-15/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyQQPBQPRCMKPPFU-UHFFFAOYSA-N
XLogP4.18
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.18
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)methyl]-1,3-benzoxazole?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole (CID 170593549) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-[(1-methylpiperidin-4-yl)methyl]-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)methyl]-1,3-benzoxazole?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole is Cc1cn2nc(-c3cc(F)c4nc(CC5CCN(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)methyl]-1,3-benzoxazole?
The InChIKey is QQPBQPRCMKPPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-13-8-18(26-28-12-14(2)24-22(13)28)16-10-17(23)21-19(11-16)29-20(25-21)9-15-4-6-27(3)7-5-15/h8,10-12,15H,4-7,9H2,1-3H3.
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole has a molecular weight of 393.47 g/mol, XLogP of 4.18, 3 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)methyl]-1,3-benzoxazole is sourced from PubChem (CID 170593549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).