6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C67H85ClF6N11O2P — CID 159140014

IUPAC6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESC.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CN1CCC(CN)CC1.CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1
InChIInChI=1S/C26H36NP.C20H22F3N5O.C13H7ClF3N3O.C7H16N2.CH4/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;1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-9-4-2-7(6-8)3-5-9;/h9-12,17-22H,3-8,13-16H2,1-2H3;2-6,11,13-14H,7-10,12H2,1H3,(H,24,26);1-7H;7H,2-6,8H2,1H3;1H4
InChIKeyKHZAWYUXPTTYEX-UHFFFAOYSA-N
MW1256.91 g/mol
LogP16.11
Rot. Bonds13

About 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 159140014) has the molecular formula C67H85ClF6N11O2P and a molecular weight of 1256.91 g/mol. Its IUPAC name is 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID159140014
Molecular FormulaC67H85ClF6N11O2P
Molecular Weight1256.91 g/mol
Exact Mass1255.62
IUPAC Name6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESC.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CN1CCC(CN)CC1.CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1
InChIInChI=1S/C26H36NP.C20H22F3N5O.C13H7ClF3N3O.C7H16N2.CH4/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;1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-9-4-2-7(6-8)3-5-9;/h9-12,17-22H,3-8,13-16H2,1-2H3;2-6,11,13-14H,7-10,12H2,1H3,(H,24,26);1-7H;7H,2-6,8H2,1H3;1H4
InChIKeyKHZAWYUXPTTYEX-UHFFFAOYSA-N
XLogP16.11
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001256.91
LogP ≤ 516.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-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
7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 71203657
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
6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;4,4-difluorocyclohexane-1-carboxamide;4,4-difluorocyclohexane-1-carboxylic acid;(4,4-difluorocyclohexyl)methanamine;N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;ethyl 4,4-difluorocyclohexane-1-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;2-methylpropyl carbonochloridate
CID 157053096
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
6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;4,4-difluorocyclohexane-1-carboxamide;4,4-difluorocyclohexane-1-carboxylic acid;(4,4-difluorocyclohexyl)methanamine;N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;ethyl 4,4-difluorocyclohexane-1-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;methane;2-methylpropyl carbonochloridate
CID 157471128
2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 157498053

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;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 159140014) is 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is C.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CN1CCC(CN)CC1.CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.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;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is KHZAWYUXPTTYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NP.C20H22F3N5O.C13H7ClF3N3O.C7H16N2.CH4/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;1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-9-4-2-7(6-8)3-5-9;/h9-12,17-22H,3-8,13-16H2,1-2H3;2-6,11,13-14H,7-10,12H2,1H3,(H,24,26);1-7H;7H,2-6,8H2,1H3;1H4.
What are the key properties of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 1256.91 g/mol, XLogP of 16.11, 13 rotatable bonds, 2 hydrogen bond donors, and 13 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;methane;(1-methylpiperidin-4-yl)methanamine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 159140014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).