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

C22H26F3N5O — CID 167228033

IUPAC2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(Nc2ccc3nc(N)c(-c4cccc(C(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C22H26F3N5O/c1-21(2,31)14-6-8-16(9-7-14)27-17-10-11-18-28-20(26)19(30(18)29-17)13-4-3-5-15(12-13)22(23,24)25/h3-5,10-12,14,16,31H,6-9,26H2,1-2H3,(H,27,29)
InChIKeyCHLVJOQAOZBXCY-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.74
Rot. Bonds4

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

2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol (PubChem CID 167228033) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is 2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
PubChem CID167228033
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(Nc2ccc3nc(N)c(-c4cccc(C(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C22H26F3N5O/c1-21(2,31)14-6-8-16(9-7-14)27-17-10-11-18-28-20(26)19(30(18)29-17)13-4-3-5-15(12-13)22(23,24)25/h3-5,10-12,14,16,31H,6-9,26H2,1-2H3,(H,27,29)
InChIKeyCHLVJOQAOZBXCY-UHFFFAOYSA-N
XLogP4.74
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-[4-[[3-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 66598153
1-Methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 66598186
trans-4-(3-(3-(Trifluoromethyl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexanol
CID 44219633
(2S)-2-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 137644802
(2S)-2-[[3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 137645947
(2S)-2-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 137658150
3-[[3-[3-(Trifluoro-methyl)phenyl] imidazo[1,2-b]pyridazin-6-yl]amino] propan-1-ol
CID 58857587
N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 25104302
1-Methyl-4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 66598034
2-[4-[[3-(3-Chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
CID 66598035
4-((3-(3-Trifluoromethylphenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexanol
CID 66598158

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol?
The IUPAC name of 2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol (CID 167228033) is 2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol?
The canonical SMILES for 2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol is CC(C)(O)C1CCC(Nc2ccc3nc(N)c(-c4cccc(C(F)(F)F)c4)n3n2)CC1.
What is the InChIKey of 2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol?
The InChIKey is CHLVJOQAOZBXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O/c1-21(2,31)14-6-8-16(9-7-14)27-17-10-11-18-28-20(26)19(30(18)29-17)13-4-3-5-15(12-13)22(23,24)25/h3-5,10-12,14,16,31H,6-9,26H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol?
2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol has a molecular weight of 433.48 g/mol, XLogP of 4.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-amino-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol is sourced from PubChem (CID 167228033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).