4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol

C20H24FN5O2 — CID 71235298

IUPAC4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(CNc2ccc3ncc(-c4cccc(OCF)c4)n3n2)CC1
InChIInChI=1S/C20H24FN5O2/c1-25-9-7-20(27,8-10-25)13-23-18-5-6-19-22-12-17(26(19)24-18)15-3-2-4-16(11-15)28-14-21/h2-6,11-12,27H,7-10,13-14H2,1H3,(H,23,24)
InChIKeyMFXJYJIBUVTITK-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.57
Rot. Bonds6

About 4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol

4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol (PubChem CID 71235298) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol
PubChem CID71235298
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(CNc2ccc3ncc(-c4cccc(OCF)c4)n3n2)CC1
InChIInChI=1S/C20H24FN5O2/c1-25-9-7-20(27,8-10-25)13-23-18-5-6-19-22-12-17(26(19)24-18)15-3-2-4-16(11-15)28-14-21/h2-6,11-12,27H,7-10,13-14H2,1H3,(H,23,24)
InChIKeyMFXJYJIBUVTITK-UHFFFAOYSA-N
XLogP2.57
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol (CID 71235298) is 4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol is CN1CCC(O)(CNc2ccc3ncc(-c4cccc(OCF)c4)n3n2)CC1.
What is the InChIKey of 4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol?
The InChIKey is MFXJYJIBUVTITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-25-9-7-20(27,8-10-25)13-23-18-5-6-19-22-12-17(26(19)24-18)15-3-2-4-16(11-15)28-14-21/h2-6,11-12,27H,7-10,13-14H2,1H3,(H,23,24).
What are the key properties of 4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol?
4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol has a molecular weight of 385.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-[3-(fluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 71235298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).