4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C19H19F3N4O — CID 66598158

IUPAC4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)13-3-1-2-12(10-13)16-11-23-18-9-8-17(25-26(16)18)24-14-4-6-15(27)7-5-14/h1-3,8-11,14-15,27H,4-7H2,(H,24,25)
InChIKeyOIWKVZIBVNRNOJ-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.13
Rot. Bonds3

About 4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 66598158) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID66598158
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)13-3-1-2-12(10-13)16-11-23-18-9-8-17(25-26(16)18)24-14-4-6-15(27)7-5-14/h1-3,8-11,14-15,27H,4-7H2,(H,24,25)
InChIKeyOIWKVZIBVNRNOJ-UHFFFAOYSA-N
XLogP4.13
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

2-((1r,4r)-4-((3-(3-(Trifluoromethyl)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexyl)propan-2-ol
CID 66598080
2-[[6-(2-Methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methylamino]ethanol
CID 129019494
4-(6-{[(1s)-1-(Hydroxymethyl)-2-Methylpropyl]amino}imidazo[1,2-B]pyridazin-3-Yl)benzonitrile
CID 6419800
K00486
CID 6419820
Trans-4-{[4-(1h-Indazol-1-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 24957306
(2R)-2-{[4-(benzylamino)-7-(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino}butan-1-ol
CID 25190763
(2S)-2-((3-(3-aminophenyl)imidazo(1,2-b)pyridazin-6-yl)amino)-3-methylbutan-1-ol
CID 46937115
(3S,5R)-3,5-diamino-1-[3-[[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-4-ol
CID 134146922
4-(6-((trans)-4-Hydroxycyclohexylamino)imidazo[1,2-b]pyridazin-3-yl)benzonitrile
CID 24996406
4-[(3-Phenyltriazolo[4,5-d]pyrimidin-5-yl)amino]cyclohexan-1-ol
CID 44448296
4-[(3-Naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
CID 44530414
4-[[3-(4-Chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 44530415

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 66598158) is 4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.
What is the InChIKey of 4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is OIWKVZIBVNRNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c20-19(21,22)13-3-1-2-12(10-13)16-11-23-18-9-8-17(25-26(16)18)24-14-4-6-15(27)7-5-14/h1-3,8-11,14-15,27H,4-7H2,(H,24,25).
What are the key properties of 4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 376.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 66598158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).