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

C70H89ClF6N11O2P — CID 157303139

IUPAC6-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
SMILESCCN1CCC(CN)CC1.CCN1CCC(CNc2nn3c(-c4cccc(OC(F)(F)F)c4)cnc3cc2C)CC1.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1cc2ncc(-c3cccc(OC(F)(F)F)c3)n2nc1Cl
InChIInChI=1S/C26H36NP.C22H26F3N5O.C14H9ClF3N3O.C8H18N2/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;1-3-29-9-7-16(8-10-29)13-27-21-15(2)11-20-26-14-19(30(20)28-21)17-5-4-6-18(12-17)31-22(23,24)25;1-8-5-12-19-7-11(21(12)20-13(8)15)9-3-2-4-10(6-9)22-14(16,17)18;1-2-10-5-3-8(7-9)4-6-10/h9-12,17-22H,3-8,13-16H2,1-2H3;4-6,11-12,14,16H,3,7-10,13H2,1-2H3,(H,27,28);2-7H,1H3;8H,2-7,9H2,1H3
InChIKeyBCDDRMWZTCPYBG-UHFFFAOYSA-N
MW1296.97 g/mol
LogP16.87
Rot. Bonds15

About 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

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 (PubChem CID 157303139) has the molecular formula C70H89ClF6N11O2P and a molecular weight of 1296.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID157303139
Molecular FormulaC70H89ClF6N11O2P
Molecular Weight1296.97 g/mol
Exact Mass1295.65
IUPAC Name6-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
SMILESCCN1CCC(CN)CC1.CCN1CCC(CNc2nn3c(-c4cccc(OC(F)(F)F)c4)cnc3cc2C)CC1.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1cc2ncc(-c3cccc(OC(F)(F)F)c3)n2nc1Cl
InChIInChI=1S/C26H36NP.C22H26F3N5O.C14H9ClF3N3O.C8H18N2/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;1-3-29-9-7-16(8-10-29)13-27-21-15(2)11-20-26-14-19(30(20)28-21)17-5-4-6-18(12-17)31-22(23,24)25;1-8-5-12-19-7-11(21(12)20-13(8)15)9-3-2-4-10(6-9)22-14(16,17)18;1-2-10-5-3-8(7-9)4-6-10/h9-12,17-22H,3-8,13-16H2,1-2H3;4-6,11-12,14,16H,3,7-10,13H2,1-2H3,(H,27,28);2-7H,1H3;8H,2-7,9H2,1H3
InChIKeyBCDDRMWZTCPYBG-UHFFFAOYSA-N
XLogP16.87
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001296.97
LogP ≤ 516.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 44530413
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
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
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
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
deuterio(fluoro)methane;2-(dimethylamino)acetyl chloride;2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 157547473
6-chloro-3-[3-(trifluoromethoxy)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 157615692

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCC(CN)CC1.CCN1CCC(CNc2nn3c(-c4cccc(OC(F)(F)F)c4)cnc3cc2C)CC1.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1cc2ncc(-c3cccc(OC(F)(F)F)c3)n2nc1Cl.
What is the InChIKey of 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?
The InChIKey is BCDDRMWZTCPYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NP.C22H26F3N5O.C14H9ClF3N3O.C8H18N2/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;1-3-29-9-7-16(8-10-29)13-27-21-15(2)11-20-26-14-19(30(20)28-21)17-5-4-6-18(12-17)31-22(23,24)25;1-8-5-12-19-7-11(21(12)20-13(8)15)9-3-2-4-10(6-9)22-14(16,17)18;1-2-10-5-3-8(7-9)4-6-10/h9-12,17-22H,3-8,13-16H2,1-2H3;4-6,11-12,14,16H,3,7-10,13H2,1-2H3,(H,27,28);2-7H,1H3;8H,2-7,9H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1296.97 g/mol, XLogP of 16.87, 15 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157303139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).