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

C17H17F3N4O2S — CID 163304083

IUPAC[(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol
SMILESOC[C@@H]1CC[C@@H](Nc2ccc3ncc(-c4ccc(C(F)(F)F)s4)n3n2)CO1
InChIInChI=1S/C17H17F3N4O2S/c18-17(19,20)14-4-3-13(27-14)12-7-21-16-6-5-15(23-24(12)16)22-10-1-2-11(8-25)26-9-10/h3-7,10-11,25H,1-2,8-9H2,(H,22,23)/t10-,11+/m1/s1
InChIKeyFOMQAXLFFZQXNC-MNOVXSKESA-N
MW398.41 g/mol
LogP3.43
Rot. Bonds4

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

[(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol (PubChem CID 163304083) has the molecular formula C17H17F3N4O2S and a molecular weight of 398.41 g/mol. Its IUPAC name is [(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol
PubChem CID163304083
Molecular FormulaC17H17F3N4O2S
Molecular Weight398.41 g/mol
Exact Mass398.10
IUPAC Name[(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol
SMILESOC[C@@H]1CC[C@@H](Nc2ccc3ncc(-c4ccc(C(F)(F)F)s4)n3n2)CO1
InChIInChI=1S/C17H17F3N4O2S/c18-17(19,20)14-4-3-13(27-14)12-7-21-16-6-5-15(23-24(12)16)22-10-1-2-11(8-25)26-9-10/h3-7,10-11,25H,1-2,8-9H2,(H,22,23)/t10-,11+/m1/s1
InChIKeyFOMQAXLFFZQXNC-MNOVXSKESA-N
XLogP3.43
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]tetrahydropyran-2-yl]methanol
CID 163304074
[(2R,5S)-5-[[3-[5-(trifluoromethyl)-2-thienyl]imidazo[1,2-b]pyridazin-6-yl]amino]tetrahydropyran-2-yl]methanol
CID 163304098
[(2S,5R)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]tetrahydropyran-2-yl]methanol
CID 163304101
2-((1r,4r)-4-4-((3-(5-(Trifluoromethyl)thiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexyl)propan-2-ol
CID 167228035
US20250163063, Example 138
CID 169117758
N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
CID 58857830
2-[[3-(2-Thienyl)imidazo [1,2-b]pyridazin-6-yl]amino] butan-1-ol
CID 126474713
trans-4-(3-(5-Fluorobenzo[b]thiophen-2-yl)imidazo[1,2-b]pyridazin-6-ylamino)cyclohexanol
CID 90388453
4-(Aminosulfanyloxymethyl)-2-[[2-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentan-1-ol
CID 139471935
N-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
CID 167228036
3-Ethyl-4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohex-3-en-1-ol
CID 167228065
N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
CID 167228165

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol (CID 163304083) is [(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol is OC[C@@H]1CC[C@@H](Nc2ccc3ncc(-c4ccc(C(F)(F)F)s4)n3n2)CO1.
What is the InChIKey of [(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol?
The InChIKey is FOMQAXLFFZQXNC-MNOVXSKESA-N. The full InChI is InChI=1S/C17H17F3N4O2S/c18-17(19,20)14-4-3-13(27-14)12-7-21-16-6-5-15(23-24(12)16)22-10-1-2-11(8-25)26-9-10/h3-7,10-11,25H,1-2,8-9H2,(H,22,23)/t10-,11+/m1/s1.
What are the key properties of [(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol?
[(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol has a molecular weight of 398.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]oxan-2-yl]methanol is sourced from PubChem (CID 163304083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).