6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine

C69H89ClF6N13O2P — CID 158290947

IUPAC6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCC(CN)N1CCN(C)CC1.CCC(CNc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1)N1CCN(C)CC1.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1
InChIInChI=1S/C26H36NP.C22H27F3N6O.C13H7ClF3N3O.C8H19N3/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-3-17(30-11-9-29(2)10-12-30)14-26-20-7-8-21-27-15-19(31(21)28-20)16-5-4-6-18(13-16)32-22(23,24)25;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-8(7-9)11-5-3-10(2)4-6-11/h9-12,17-22H,3-8,13-16H2,1-2H3;4-8,13,15,17H,3,9-12,14H2,1-2H3,(H,26,28);1-7H;8H,3-7,9H2,1-2H3
InChIKeyGLIPUNPUSBTMIA-UHFFFAOYSA-N
MW1312.97 g/mol
LogP14.45
Rot. Bonds16

About 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine

6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 158290947) has the molecular formula C69H89ClF6N13O2P and a molecular weight of 1312.97 g/mol. Its IUPAC name is 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID158290947
Molecular FormulaC69H89ClF6N13O2P
Molecular Weight1312.97 g/mol
Exact Mass1311.66
IUPAC Name6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCC(CN)N1CCN(C)CC1.CCC(CNc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1)N1CCN(C)CC1.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1
InChIInChI=1S/C26H36NP.C22H27F3N6O.C13H7ClF3N3O.C8H19N3/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-3-17(30-11-9-29(2)10-12-30)14-26-20-7-8-21-27-15-19(31(21)28-20)16-5-4-6-18(13-16)32-22(23,24)25;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-8(7-9)11-5-3-10(2)4-6-11/h9-12,17-22H,3-8,13-16H2,1-2H3;4-8,13,15,17H,3,9-12,14H2,1-2H3,(H,26,28);1-7H;8H,3-7,9H2,1-2H3
InChIKeyGLIPUNPUSBTMIA-UHFFFAOYSA-N
XLogP14.45
TPSA133.09 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001312.97
LogP ≤ 514.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine with MolForge

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Related Compounds

1-[1-(6-Chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 172467406
3-(4-chloro-3-methoxyphenyl)-7-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 59177949
3-(4-chloro-3-methoxyphenyl)-7-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 66876968
3-(4-Chloro-3-methoxyphenyl)-7-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 72535780
4-[[[3-(3-Chlorophenyl)-1-[4-[6-[(4-cyanocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-1-ium-6-yl]amino]methyl]cyclohexane-1-carbonitrile
CID 123151650
bis(buta-1,3-diene);4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 143916109
3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol
CID 157053636
tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;sulfane;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 157104787
6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;4-isocyanocyclohexan-1-amine;N-(4-isocyanocyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 157267801
6-chloro-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 157303139
3-(4-chlorophenyl)-8-(4-isocyanophenyl)-4-methoxyquinoline;8-(4-isocyanophenyl)-4-methoxy-3-[4-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]quinoline;5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 157370623
6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;7-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;(1-propan-2-ylpiperidin-4-yl)methanamine
CID 157393859

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine (CID 158290947) is 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine is CC(CN)N1CCN(C)CC1.CCC(CNc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1)N1CCN(C)CC1.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.
What is the InChIKey of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is GLIPUNPUSBTMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NP.C22H27F3N6O.C13H7ClF3N3O.C8H19N3/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-3-17(30-11-9-29(2)10-12-30)14-26-20-7-8-21-27-15-19(31(21)28-20)16-5-4-6-18(13-16)32-22(23,24)25;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-8(7-9)11-5-3-10(2)4-6-11/h9-12,17-22H,3-8,13-16H2,1-2H3;4-8,13,15,17H,3,9-12,14H2,1-2H3,(H,26,28);1-7H;8H,3-7,9H2,1-2H3.
What are the key properties of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine?
6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 1312.97 g/mol, XLogP of 14.45, 16 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-[2-(4-methylpiperazin-1-yl)butyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 158290947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).