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

C22H25FN6O — CID 170593791

IUPAC1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(N5CCCC(N(C)C)C5)oc4c3)cc(C)c2n1
InChIInChI=1S/C22H25FN6O/c1-13-8-18(26-29-11-14(2)24-21(13)29)15-9-17(23)20-19(10-15)30-22(25-20)28-7-5-6-16(12-28)27(3)4/h8-11,16H,5-7,12H2,1-4H3
InChIKeyOIIIENKBSSYMSL-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.82
Rot. Bonds3

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

1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine (PubChem CID 170593791) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine
PubChem CID170593791
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(N5CCCC(N(C)C)C5)oc4c3)cc(C)c2n1
InChIInChI=1S/C22H25FN6O/c1-13-8-18(26-29-11-14(2)24-21(13)29)15-9-17(23)20-19(10-15)30-22(25-20)28-7-5-6-16(12-28)27(3)4/h8-11,16H,5-7,12H2,1-4H3
InChIKeyOIIIENKBSSYMSL-UHFFFAOYSA-N
XLogP3.82
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine (CID 170593791) is 1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine is Cc1cn2nc(-c3cc(F)c4nc(N5CCCC(N(C)C)C5)oc4c3)cc(C)c2n1.
What is the InChIKey of 1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is OIIIENKBSSYMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-13-8-18(26-29-11-14(2)24-21(13)29)15-9-17(23)20-19(10-15)30-22(25-20)28-7-5-6-16(12-28)27(3)4/h8-11,16H,5-7,12H2,1-4H3.
What are the key properties of 1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine?
1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 408.48 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 170593791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).