1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone

C159H142F14N20O5 — CID 159032999

IUPAC1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc(CN3CCC(N(C)C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2nccnc2c1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2c(c1)nc(N)n2C.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2nccnc2c1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(F)c2)cc1C#Cc1cccc2ncncc12.Cc1ccn(-c2cc(CC(=O)c3ccc(F)c(C#Cc4cccc5ncncc45)c3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C34H33F3N4O.C32H32F3N5O.C32H29F3N4O.C31H29FN4O.C30H19F4N3O/c1-23-4-8-27(21-26(23)9-5-24-7-11-31-32(19-24)39-15-14-38-31)33(42)20-25-6-10-28(30(18-25)34(35,36)37)22-41-16-12-29(13-17-41)40(2)3;1-21-4-8-25(19-24(21)9-5-22-7-11-29-28(17-22)37-31(36)39(29)3)30(41)18-23-6-10-26(27(16-23)32(33,34)35)20-40-14-12-38(2)13-15-40;1-22-3-7-26(20-25(22)8-4-23-6-10-29-30(18-23)37-12-11-36-29)31(40)19-24-5-9-27(28(17-24)32(33,34)35)21-39-15-13-38(2)14-16-39;1-22-6-8-26(18-25(22)11-10-24-4-3-5-30-28(24)19-33-21-34-30)31(37)17-23-7-9-27(29(32)16-23)20-36-14-12-35(2)13-15-36;1-19-9-10-37(17-19)25-12-20(11-24(15-25)30(32,33)34)13-29(38)23-7-8-27(31)22(14-23)6-5-21-3-2-4-28-26(21)16-35-18-36-28/h4,6-8,10-11,14-15,18-19,21,29H,12-13,16-17,20,22H2,1-3H3;4,6-8,10-11,16-17,19H,12-15,18,20H2,1-3H3,(H2,36,37);3,5-7,9-12,17-18,20H,13-16,19,21H2,1-2H3;3-9,16,18-19,21H,12-15,17,20H2,1-2H3;2-4,7-12,14-18H,13H2,1H3
InChIKeyJVCOROCXSXSVFO-UHFFFAOYSA-N
MW2678.99 g/mol
LogP28.26
Rot. Bonds25

About 1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone

1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone (PubChem CID 159032999) has the molecular formula C159H142F14N20O5 and a molecular weight of 2678.99 g/mol. Its IUPAC name is 1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone
PubChem CID159032999
Molecular FormulaC159H142F14N20O5
Molecular Weight2678.99 g/mol
Exact Mass2677.12
IUPAC Name1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc(CN3CCC(N(C)C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2nccnc2c1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2c(c1)nc(N)n2C.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2nccnc2c1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(F)c2)cc1C#Cc1cccc2ncncc12.Cc1ccn(-c2cc(CC(=O)c3ccc(F)c(C#Cc4cccc5ncncc45)c3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C34H33F3N4O.C32H32F3N5O.C32H29F3N4O.C31H29FN4O.C30H19F4N3O/c1-23-4-8-27(21-26(23)9-5-24-7-11-31-32(19-24)39-15-14-38-31)33(42)20-25-6-10-28(30(18-25)34(35,36)37)22-41-16-12-29(13-17-41)40(2)3;1-21-4-8-25(19-24(21)9-5-22-7-11-29-28(17-22)37-31(36)39(29)3)30(41)18-23-6-10-26(27(16-23)32(33,34)35)20-40-14-12-38(2)13-15-40;1-22-3-7-26(20-25(22)8-4-23-6-10-29-30(18-23)37-12-11-36-29)31(40)19-24-5-9-27(28(17-24)32(33,34)35)21-39-15-13-38(2)14-16-39;1-22-6-8-26(18-25(22)11-10-24-4-3-5-30-28(24)19-33-21-34-30)31(37)17-23-7-9-27(29(32)16-23)20-36-14-12-35(2)13-15-36;1-19-9-10-37(17-19)25-12-20(11-24(15-25)30(32,33)34)13-29(38)23-7-8-27(31)22(14-23)6-5-21-3-2-4-28-26(21)16-35-18-36-28/h4,6-8,10-11,14-15,18-19,21,29H,12-13,16-17,20,22H2,1-3H3;4,6-8,10-11,16-17,19H,12-15,18,20H2,1-3H3,(H2,36,37);3,5-7,9-12,17-18,20H,13-16,19,21H2,1-2H3;3-9,16,18-19,21H,12-15,17,20H2,1-2H3;2-4,7-12,14-18H,13H2,1H3
InChIKeyJVCOROCXSXSVFO-UHFFFAOYSA-N
XLogP28.26
TPSA263.16 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002678.99
LogP ≤ 528.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone?
The IUPAC name of 1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone (CID 159032999) is 1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone?
The canonical SMILES for 1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone is Cc1ccc(C(=O)Cc2ccc(CN3CCC(N(C)C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2nccnc2c1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2c(c1)nc(N)n2C.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2nccnc2c1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(F)c2)cc1C#Cc1cccc2ncncc12.Cc1ccn(-c2cc(CC(=O)c3ccc(F)c(C#Cc4cccc5ncncc45)c3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone?
The InChIKey is JVCOROCXSXSVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N4O.C32H32F3N5O.C32H29F3N4O.C31H29FN4O.C30H19F4N3O/c1-23-4-8-27(21-26(23)9-5-24-7-11-31-32(19-24)39-15-14-38-31)33(42)20-25-6-10-28(30(18-25)34(35,36)37)22-41-16-12-29(13-17-41)40(2)3;1-21-4-8-25(19-24(21)9-5-22-7-11-29-28(17-22)37-31(36)39(29)3)30(41)18-23-6-10-26(27(16-23)32(33,34)35)20-40-14-12-38(2)13-15-40;1-22-3-7-26(20-25(22)8-4-23-6-10-29-30(18-23)37-12-11-36-29)31(40)19-24-5-9-27(28(17-24)32(33,34)35)21-39-15-13-38(2)14-16-39;1-22-6-8-26(18-25(22)11-10-24-4-3-5-30-28(24)19-33-21-34-30)31(37)17-23-7-9-27(29(32)16-23)20-36-14-12-35(2)13-15-36;1-19-9-10-37(17-19)25-12-20(11-24(15-25)30(32,33)34)13-29(38)23-7-8-27(31)22(14-23)6-5-21-3-2-4-28-26(21)16-35-18-36-28/h4,6-8,10-11,14-15,18-19,21,29H,12-13,16-17,20,22H2,1-3H3;4,6-8,10-11,16-17,19H,12-15,18,20H2,1-3H3,(H2,36,37);3,5-7,9-12,17-18,20H,13-16,19,21H2,1-2H3;3-9,16,18-19,21H,12-15,17,20H2,1-2H3;2-4,7-12,14-18H,13H2,1H3.
What are the key properties of 1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone?
1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone has a molecular weight of 2678.99 g/mol, XLogP of 28.26, 25 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-amino-1-methylbenzimidazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone;2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-fluoro-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinoxalin-6-ylethynyl)phenyl]ethanone is sourced from PubChem (CID 159032999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).