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

C44H51ClF6N8O2 — CID 159324711

IUPAC2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(N)CC1.CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.FC(F)(F)c1cccc(-c2cnc3ccc(Cl)nn23)c1
InChIInChI=1S/C22H25F3N4O.C13H7ClF3N3.C9H19NO/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)13(15,16)17;1-9(2,11)7-3-5-8(10)6-4-7/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28);1-7H;7-8,11H,3-6,10H2,1-2H3
InChIKeyLEFCGQFUJKVATM-UHFFFAOYSA-N
MW873.39 g/mol
LogP10.50
Rot. Bonds6

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

2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol (PubChem CID 159324711) has the molecular formula C44H51ClF6N8O2 and a molecular weight of 873.39 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
PubChem CID159324711
Molecular FormulaC44H51ClF6N8O2
Molecular Weight873.39 g/mol
Exact Mass872.37
IUPAC Name2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(N)CC1.CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.FC(F)(F)c1cccc(-c2cnc3ccc(Cl)nn23)c1
InChIInChI=1S/C22H25F3N4O.C13H7ClF3N3.C9H19NO/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)13(15,16)17;1-9(2,11)7-3-5-8(10)6-4-7/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28);1-7H;7-8,11H,3-6,10H2,1-2H3
InChIKeyLEFCGQFUJKVATM-UHFFFAOYSA-N
XLogP10.50
TPSA138.89 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.39
LogP ≤ 510.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-Chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
CID 66598035
[4-[[3-[3-(Trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol
CID 66598175
2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol
CID 71235269
2-(trans-4-((3-(3-Fluorophenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexyl)propan-2-ol
CID 71235271
2-(trans-4-(((3-(3-Chlorophenyl)imidazo[1,2-b]pyridazin-6-yl)amino)methyl)cyclohexyl)propan-2-ol
CID 71235272
[4-[[3-(3-Chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol
CID 66597979
4-[[5-[3-(2,2-Difluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 171552001
4-[[4-Amino-5-[3-(2,2-difluoroethyl)triazolo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 171733711
1-Methyl-4-[[4-(methylamino)-5-[3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol
CID 171733949
4-[[3-(3-Chlorophenyl)-1-[4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-6-yl]amino]cyclohexan-1-ol
CID 123595667
4-[[3-[4-[3-(3-Chlorophenyl)-6-[[4-(cyanomethyl)cyclohexyl]amino]imidazo[1,2-b]pyridazin-1-ium-1-yl]-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile
CID 123652350

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol?
The IUPAC name of 2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol (CID 159324711) is 2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol.
What is the SMILES notation for 2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol?
The canonical SMILES for 2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol is CC(C)(O)C1CCC(N)CC1.CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.FC(F)(F)c1cccc(-c2cnc3ccc(Cl)nn23)c1.
What is the InChIKey of 2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol?
The InChIKey is LEFCGQFUJKVATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O.C13H7ClF3N3.C9H19NO/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)13(15,16)17;1-9(2,11)7-3-5-8(10)6-4-7/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28);1-7H;7-8,11H,3-6,10H2,1-2H3.
What are the key properties of 2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol?
2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol has a molecular weight of 873.39 g/mol, XLogP of 10.50, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol is sourced from PubChem (CID 159324711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).