6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine

C39H45ClF6N10O2 — CID 158652590

IUPAC6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
SMILESC.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.NC1CCC(N)CC1.NC1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C19H20F3N5O.C13H7ClF3N3O.C6H14N2.CH4/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-24-18-9-8-17(26-27(16)18)25-14-6-4-13(23)5-7-14;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;7-5-1-2-6(8)4-3-5;/h1-3,8-11,13-14H,4-7,23H2,(H,25,26);1-7H;5-6H,1-4,7-8H2;1H4
InChIKeyIBSSWELNTFRVSZ-UHFFFAOYSA-N
MW835.30 g/mol
LogP8.78
Rot. Bonds6

About 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine

6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine (PubChem CID 158652590) has the molecular formula C39H45ClF6N10O2 and a molecular weight of 835.30 g/mol. Its IUPAC name is 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
PubChem CID158652590
Molecular FormulaC39H45ClF6N10O2
Molecular Weight835.30 g/mol
Exact Mass834.33
IUPAC Name6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
SMILESC.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.NC1CCC(N)CC1.NC1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C19H20F3N5O.C13H7ClF3N3O.C6H14N2.CH4/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-24-18-9-8-17(26-27(16)18)25-14-6-4-13(23)5-7-14;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;7-5-1-2-6(8)4-3-5;/h1-3,8-11,13-14H,4-7,23H2,(H,25,26);1-7H;5-6H,1-4,7-8H2;1H4
InChIKeyIBSSWELNTFRVSZ-UHFFFAOYSA-N
XLogP8.78
TPSA168.93 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500835.30
LogP ≤ 58.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine 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

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Lmtk3-IN-1
CID 138454301
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 6419809
N-((1-ethylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 25025645
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 44530413
N-[(3-chlorophenyl) methyl]-3-(6-methoxy-3-pyridyl)imidazo [1,2-b]pyridazin-6-amine
CID 45489227
N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57391268
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57399976
SGI-1776 sulfate
CID 57402077
N-(piperidin-4-ylmethyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 57403491
2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(4-phenylbutyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522558
2-amino-N-[1-[1-[4-(benzylamino)-4-oxobutyl]piperidin-4-yl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522832

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?
The IUPAC name of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine (CID 158652590) is 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine is C.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.NC1CCC(N)CC1.NC1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.
What is the InChIKey of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?
The InChIKey is IBSSWELNTFRVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O.C13H7ClF3N3O.C6H14N2.CH4/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-24-18-9-8-17(26-27(16)18)25-14-6-4-13(23)5-7-14;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;7-5-1-2-6(8)4-3-5;/h1-3,8-11,13-14H,4-7,23H2,(H,25,26);1-7H;5-6H,1-4,7-8H2;1H4.
What are the key properties of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?
6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine has a molecular weight of 835.30 g/mol, XLogP of 8.78, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 158652590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).