[(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol

C19H19F3N4O2 — CID 163304074

IUPAC[(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol
SMILESOC[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CO1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)13-3-1-2-12(8-13)16-9-23-18-7-6-17(25-26(16)18)24-14-4-5-15(10-27)28-11-14/h1-3,6-9,14-15,27H,4-5,10-11H2,(H,24,25)/t14-,15+/m0/s1
InChIKeyHOPGWMIVUXICGV-LSDHHAIUSA-N
MW392.38 g/mol
LogP3.37
Rot. Bonds4

About [(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol

[(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol (PubChem CID 163304074) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is [(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol
PubChem CID163304074
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name[(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol
SMILESOC[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CO1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)13-3-1-2-12(8-13)16-9-23-18-7-6-17(25-26(16)18)24-14-4-5-15(10-27)28-11-14/h1-3,6-9,14-15,27H,4-5,10-11H2,(H,24,25)/t14-,15+/m0/s1
InChIKeyHOPGWMIVUXICGV-LSDHHAIUSA-N
XLogP3.37
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol?
The IUPAC name of [(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol (CID 163304074) is [(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol?
The canonical SMILES for [(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol is OC[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CO1.
What is the InChIKey of [(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol?
The InChIKey is HOPGWMIVUXICGV-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)13-3-1-2-12(8-13)16-9-23-18-7-6-17(25-26(16)18)24-14-4-5-15(10-27)28-11-14/h1-3,6-9,14-15,27H,4-5,10-11H2,(H,24,25)/t14-,15+/m0/s1.
What are the key properties of [(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol?
[(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol has a molecular weight of 392.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol is sourced from PubChem (CID 163304074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).