2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol

C22H25F3N4O2 — CID 66603893

IUPAC2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol
SMILESOCCC1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C22H25F3N4O2/c23-22(24,25)31-18-3-1-2-17(12-18)19-14-27-21-9-8-20(28-29(19)21)26-13-16-6-4-15(5-7-16)10-11-30/h1-3,8-9,12,14-16,30H,4-7,10-11,13H2,(H,26,28)
InChIKeyRRVOFZXORSHSFC-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.90
Rot. Bonds7

About 2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol

2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol (PubChem CID 66603893) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol
PubChem CID66603893
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC Name2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol
SMILESOCCC1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C22H25F3N4O2/c23-22(24,25)31-18-3-1-2-17(12-18)19-14-27-21-9-8-20(28-29(19)21)26-13-16-6-4-15(5-7-16)10-11-30/h1-3,8-9,12,14-16,30H,4-7,10-11,13H2,(H,26,28)
InChIKeyRRVOFZXORSHSFC-UHFFFAOYSA-N
XLogP4.90
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol?
The IUPAC name of 2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol (CID 66603893) is 2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol?
The canonical SMILES for 2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol is OCCC1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.
What is the InChIKey of 2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol?
The InChIKey is RRVOFZXORSHSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c23-22(24,25)31-18-3-1-2-17(12-18)19-14-27-21-9-8-20(28-29(19)21)26-13-16-6-4-15(5-7-16)10-11-30/h1-3,8-9,12,14-16,30H,4-7,10-11,13H2,(H,26,28).
What are the key properties of 2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol?
2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol has a molecular weight of 434.46 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]ethanol is sourced from PubChem (CID 66603893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).