3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride

C171H181BrCl5F21I2N17O8P3 — CID 157097425

IUPAC3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride
SMILESBrc1cnc2cccnn12.C.C.C#Cc1cc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)ccc1C.C#Cc1cc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)ccc1C.C#Cc1cc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1C.C#Cc1cc(C(=O)Cc2ccc(CN3CCN(P)CC3)c(C(F)(F)F)c2)ccc1C.C#Cc1cc(C(=O)Cc2ccc(CN3CCNCC3)c(C(F)(F)F)c2)ccc1C.CI.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)O)cc1I.Cc1ccc(N)cc1C(F)(F)F.Cl.PN(CCCl)CCCl.PN(CCCl)CCCl
InChIInChI=1S/C30H28F3N5O.C24H25F3N2O.C23H24F3N2OP.C23H23F3N2O.2C19H15F3O.C8H8F3N.C8H7IO2.C6H4BrN3.2C4H10Cl2NP.CH3I.2CH4.ClH/c1-21-5-7-24(18-23(21)9-10-26-19-34-29-4-3-11-35-38(26)29)28(39)17-22-6-8-25(27(16-22)30(31,32)33)20-37-14-12-36(2)13-15-37;1-4-19-15-20(7-5-17(19)2)23(30)14-18-6-8-21(22(13-18)24(25,26)27)16-29-11-9-28(3)10-12-29;1-3-18-14-19(6-4-16(18)2)22(29)13-17-5-7-20(21(12-17)23(24,25)26)15-27-8-10-28(30)11-9-27;1-3-18-14-19(6-4-16(18)2)22(29)13-17-5-7-20(21(12-17)23(24,25)26)15-28-10-8-27-9-11-28;2*1-4-15-11-16(8-6-12(15)2)18(23)10-14-7-5-13(3)17(9-14)19(20,21)22;1-5-2-3-6(12)4-7(5)8(9,10)11;1-5-2-3-6(8(10)11)4-7(5)9;7-5-4-8-6-2-1-3-9-10(5)6;2*5-1-3-7(8)4-2-6;1-2;;;/h3-8,11,16,18-19H,12-15,17,20H2,1-2H3;1,5-8,13,15H,9-12,14,16H2,2-3H3;1,4-7,12,14H,8-11,13,15,30H2,2H3;1,4-7,12,14,27H,8-11,13,15H2,2H3;2*1,5-9,11H,10H2,2-3H3;2-4H,12H2,1H3;2-4H,1H3,(H,10,11);1-4H;2*1-4,8H2;1H3;2*1H4;1H
InChIKeyGKFAVVFAVSCPPP-UHFFFAOYSA-N
MW3605.30 g/mol
LogP38.65
Rot. Bonds35

About 3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride

3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride (PubChem CID 157097425) has the molecular formula C171H181BrCl5F21I2N17O8P3 and a molecular weight of 3605.30 g/mol. Its IUPAC name is 3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride.

Molecular Properties

Compound Name3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride
PubChem CID157097425
Molecular FormulaC171H181BrCl5F21I2N17O8P3
Molecular Weight3605.30 g/mol
Exact Mass3599.89
IUPAC Name3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride
SMILESBrc1cnc2cccnn12.C.C.C#Cc1cc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)ccc1C.C#Cc1cc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)ccc1C.C#Cc1cc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1C.C#Cc1cc(C(=O)Cc2ccc(CN3CCN(P)CC3)c(C(F)(F)F)c2)ccc1C.C#Cc1cc(C(=O)Cc2ccc(CN3CCNCC3)c(C(F)(F)F)c2)ccc1C.CI.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)O)cc1I.Cc1ccc(N)cc1C(F)(F)F.Cl.PN(CCCl)CCCl.PN(CCCl)CCCl
InChIInChI=1S/C30H28F3N5O.C24H25F3N2O.C23H24F3N2OP.C23H23F3N2O.2C19H15F3O.C8H8F3N.C8H7IO2.C6H4BrN3.2C4H10Cl2NP.CH3I.2CH4.ClH/c1-21-5-7-24(18-23(21)9-10-26-19-34-29-4-3-11-35-38(26)29)28(39)17-22-6-8-25(27(16-22)30(31,32)33)20-37-14-12-36(2)13-15-37;1-4-19-15-20(7-5-17(19)2)23(30)14-18-6-8-21(22(13-18)24(25,26)27)16-29-11-9-28(3)10-12-29;1-3-18-14-19(6-4-16(18)2)22(29)13-17-5-7-20(21(12-17)23(24,25)26)15-27-8-10-28(30)11-9-27;1-3-18-14-19(6-4-16(18)2)22(29)13-17-5-7-20(21(12-17)23(24,25)26)15-28-10-8-27-9-11-28;2*1-4-15-11-16(8-6-12(15)2)18(23)10-14-7-5-13(3)17(9-14)19(20,21)22;1-5-2-3-6(12)4-7(5)8(9,10)11;1-5-2-3-6(8(10)11)4-7(5)9;7-5-4-8-6-2-1-3-9-10(5)6;2*5-1-3-7(8)4-2-6;1-2;;;/h3-8,11,16,18-19H,12-15,17,20H2,1-2H3;1,5-8,13,15H,9-12,14,16H2,2-3H3;1,4-7,12,14H,8-11,13,15,30H2,2H3;1,4-7,12,14,27H,8-11,13,15H2,2H3;2*1,5-9,11H,10H2,2-3H3;2-4H,12H2,1H3;2-4H,1H3,(H,10,11);1-4H;2*1-4,8H2;1H3;2*1H4;1H
InChIKeyGKFAVVFAVSCPPP-UHFFFAOYSA-N
XLogP38.65
TPSA267.31 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003605.30
LogP ≤ 538.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride 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

[4-Amino-2-(trifluoromethyl)phenyl]methanol;2-[4-(chloromethyl)-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;deuterio(fluoro)methane;3-ethynylimidazo[1,2-b]pyridazine;2-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;2-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]-1-(3-iodo-4-methylphenyl)ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone);3-iodo-4-methylbenzoic acid;3-iodo-4-methylbenzoyl chloride;methane;methanol;1-methylpiperazine;4-nitro-2-(trifluoromethyl)benzoic acid;[4-nitro-2-(trifluoromethyl)phenyl]methanol;dihydrochloride
CID 157287692
bis(2-[4-[[4-(3-aminopropyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone);tert-butyl N-[3-[4-[[4-[2-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]carbamate;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid
CID 157923200
3-bromoimidazo[1,2-b]pyridazine;3,4-dimethylbenzoic acid;3-ethynylimidazo[1,2-b]pyridazine;ethynyl(trimethyl)silane;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane)
CID 158137740
[4-Amino-2-(trifluoromethyl)phenyl]methanol;2-[4-(chloromethyl)-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;deuterio(fluoro)methane;3-ethynylimidazo[1,2-b]pyridazine;2-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;2-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]-1-(3-iodo-4-methylphenyl)ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-iodo-4-methylbenzoic acid;3-iodo-4-methylbenzoyl chloride;methanol;1-methylpiperazine;4-nitro-2-(trifluoromethyl)benzoic acid;[4-nitro-2-(trifluoromethyl)phenyl]methanol;hydrochloride
CID 158309508
CID 158413884
CID 158413884
CID 158431023
CID 158431023
CID 158878814
CID 158878814
4-Amino-2-(trifluoromethyl)benzaldehyde;3-bromoimidazo[1,2-b]pyridazine;3-ethynyl-4-methylbenzoic acid;3-ethynyl-4-methylbenzoyl chloride;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;4-[2-(3-ethynyl-4-methylphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzaldehyde;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone);1-methylpiperidine;thionyl dichloride;dihydrochloride
CID 158925424
CID 159030115
CID 159030115
1-[3-(2-Imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;methyl 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoate;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 159101145
3-bromoimidazo[1,2-b]pyridazine;3-ethynylimidazo[1,2-b]pyridazine;ethynyl(trimethyl)silane;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-iodo-4-methylbenzoic acid;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane)
CID 159551908
1-[3-(2-Imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;methane;methyl 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoate;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 159568773

Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride?
The IUPAC name of 3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride (CID 157097425) is 3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride.
What is the SMILES notation for 3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride?
The canonical SMILES for 3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride is Brc1cnc2cccnn12.C.C.C#Cc1cc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)ccc1C.C#Cc1cc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)ccc1C.C#Cc1cc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1C.C#Cc1cc(C(=O)Cc2ccc(CN3CCN(P)CC3)c(C(F)(F)F)c2)ccc1C.C#Cc1cc(C(=O)Cc2ccc(CN3CCNCC3)c(C(F)(F)F)c2)ccc1C.CI.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)O)cc1I.Cc1ccc(N)cc1C(F)(F)F.Cl.PN(CCCl)CCCl.PN(CCCl)CCCl.
What is the InChIKey of 3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride?
The InChIKey is GKFAVVFAVSCPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O.C24H25F3N2O.C23H24F3N2OP.C23H23F3N2O.2C19H15F3O.C8H8F3N.C8H7IO2.C6H4BrN3.2C4H10Cl2NP.CH3I.2CH4.ClH/c1-21-5-7-24(18-23(21)9-10-26-19-34-29-4-3-11-35-38(26)29)28(39)17-22-6-8-25(27(16-22)30(31,32)33)20-37-14-12-36(2)13-15-37;1-4-19-15-20(7-5-17(19)2)23(30)14-18-6-8-21(22(13-18)24(25,26)27)16-29-11-9-28(3)10-12-29;1-3-18-14-19(6-4-16(18)2)22(29)13-17-5-7-20(21(12-17)23(24,25)26)15-27-8-10-28(30)11-9-27;1-3-18-14-19(6-4-16(18)2)22(29)13-17-5-7-20(21(12-17)23(24,25)26)15-28-10-8-27-9-11-28;2*1-4-15-11-16(8-6-12(15)2)18(23)10-14-7-5-13(3)17(9-14)19(20,21)22;1-5-2-3-6(12)4-7(5)8(9,10)11;1-5-2-3-6(8(10)11)4-7(5)9;7-5-4-8-6-2-1-3-9-10(5)6;2*5-1-3-7(8)4-2-6;1-2;;;/h3-8,11,16,18-19H,12-15,17,20H2,1-2H3;1,5-8,13,15H,9-12,14,16H2,2-3H3;1,4-7,12,14H,8-11,13,15,30H2,2H3;1,4-7,12,14,27H,8-11,13,15H2,2H3;2*1,5-9,11H,10H2,2-3H3;2-4H,12H2,1H3;2-4H,1H3,(H,10,11);1-4H;2*1-4,8H2;1H3;2*1H4;1H.
What are the key properties of 3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride?
3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride has a molecular weight of 3605.30 g/mol, XLogP of 38.65, 35 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoimidazo[1,2-b]pyridazine;bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-(3-ethynyl-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-(3-ethynyl-4-methylphenyl)-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride is sourced from PubChem (CID 157097425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).