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

C23H27FN6O — CID 170593524

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzoxazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(NC5CCN(C(C)C)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C23H27FN6O/c1-13(2)29-7-5-17(6-8-29)26-23-27-21-18(24)10-16(11-20(21)31-23)19-9-14(3)22-25-15(4)12-30(22)28-19/h9-13,17H,5-8H2,1-4H3,(H,26,27)
InChIKeyVSQVNVLUCZPHSS-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.58
Rot. Bonds4

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

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzoxazol-2-amine (PubChem CID 170593524) has the molecular formula C23H27FN6O and a molecular weight of 422.51 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzoxazol-2-amine
PubChem CID170593524
Molecular FormulaC23H27FN6O
Molecular Weight422.51 g/mol
Exact Mass422.22
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzoxazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(NC5CCN(C(C)C)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C23H27FN6O/c1-13(2)29-7-5-17(6-8-29)26-23-27-21-18(24)10-16(11-20(21)31-23)19-9-14(3)22-25-15(4)12-30(22)28-19/h9-13,17H,5-8H2,1-4H3,(H,26,27)
InChIKeyVSQVNVLUCZPHSS-UHFFFAOYSA-N
XLogP4.58
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-N-(1-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-yl)-1,3-benzoxazol-2-amine (CID 170593524) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-propan-2-ylpiperidin-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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-yl)-1,3-benzoxazol-2-amine is Cc1cn2nc(-c3cc(F)c4nc(NC5CCN(C(C)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-propan-2-ylpiperidin-4-yl)-1,3-benzoxazol-2-amine?
The InChIKey is VSQVNVLUCZPHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O/c1-13(2)29-7-5-17(6-8-29)26-23-27-21-18(24)10-16(11-20(21)31-23)19-9-14(3)22-25-15(4)12-30(22)28-19/h9-13,17H,5-8H2,1-4H3,(H,26,27).
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzoxazol-2-amine?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzoxazol-2-amine has a molecular weight of 422.51 g/mol, XLogP of 4.58, 4 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-propan-2-ylpiperidin-4-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 170593524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).