1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone

C196H203Cl2F12N27O6 — CID 167613238

IUPAC1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc(C)n2c(C34CC(c5cc(C(=O)Cc6ccc(CN7CCN(C)CC7)c(C(F)(F)F)c6)ccc5C)(C3)C4)cnc2n1.Cc1ccc(C(=O)Cc2ccc(CN3CCC(C)CC3)c(C(F)(F)F)c2)cc1C12CC(c3cnc4c(N)cccn34)(C1)C2.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C12CC(c3cnc4c(C)nccn34)(C1)C2.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C12CC(c3cnc4cc(Cl)ncn34)(C1)C2.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1C12CC(c3cnc4ccncn34)(C1)C2.Cc1cccc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ccncn56)(C3)C4)c2)c1
InChIInChI=1S/C35H38F3N5O.C35H37F3N4O.C34H36F3N5O.C33H33ClF3N5O.C32H34ClN5O.C27H25N3O/c1-22-5-7-26(16-28(22)33-19-34(20-33,21-33)31-17-39-32-40-23(2)13-24(3)43(31)32)30(44)15-25-6-8-27(29(14-25)35(36,37)38)18-42-11-9-41(4)10-12-42;1-22-9-12-41(13-10-22)18-26-8-6-24(14-28(26)35(36,37)38)15-30(43)25-7-5-23(2)27(16-25)33-19-34(20-33,21-33)31-17-40-32-29(39)4-3-11-42(31)32;1-22-4-6-25(16-27(22)32-19-33(20-32,21-32)30-17-39-31-23(2)38-8-9-42(30)31)29(43)15-24-5-7-26(28(14-24)34(35,36)37)18-41-12-10-40(3)11-13-41;1-21-3-5-23(13-25(21)31-17-32(18-31,19-31)28-15-38-30-14-29(34)39-20-42(28)30)27(43)12-22-4-6-24(26(11-22)33(35,36)37)16-41-9-7-40(2)8-10-41;1-22-3-5-24(28(39)14-23-4-6-25(27(33)13-23)17-37-11-9-36(2)10-12-37)15-26(22)31-18-32(19-31,20-31)29-16-35-30-7-8-34-21-38(29)30;1-18-4-3-5-20(10-18)11-23(31)21-7-6-19(2)22(12-21)26-14-27(15-26,16-26)24-13-29-25-8-9-28-17-30(24)25/h5-8,13-14,16-17H,9-12,15,18-21H2,1-4H3;3-8,11,14,16-17,22H,9-10,12-13,15,18-21,39H2,1-2H3;4-9,14,16-17H,10-13,15,18-21H2,1-3H3;3-6,11,13-15,20H,7-10,12,16-19H2,1-2H3;3-8,13,15-16,21H,9-12,14,17-20H2,1-2H3;3-10,12-13,17H,11,14-16H2,1-2H3
InChIKeyLJCDBKPTIRMWDR-UHFFFAOYSA-N
MW3331.84 g/mol
LogP36.04
Rot. Bonds40

About 1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone

1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 167613238) has the molecular formula C196H203Cl2F12N27O6 and a molecular weight of 3331.84 g/mol. Its IUPAC name is 1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
PubChem CID167613238
Molecular FormulaC196H203Cl2F12N27O6
Molecular Weight3331.84 g/mol
Exact Mass3328.56
IUPAC Name1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc(C)n2c(C34CC(c5cc(C(=O)Cc6ccc(CN7CCN(C)CC7)c(C(F)(F)F)c6)ccc5C)(C3)C4)cnc2n1.Cc1ccc(C(=O)Cc2ccc(CN3CCC(C)CC3)c(C(F)(F)F)c2)cc1C12CC(c3cnc4c(N)cccn34)(C1)C2.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C12CC(c3cnc4c(C)nccn34)(C1)C2.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C12CC(c3cnc4cc(Cl)ncn34)(C1)C2.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1C12CC(c3cnc4ccncn34)(C1)C2.Cc1cccc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ccncn56)(C3)C4)c2)c1
InChIInChI=1S/C35H38F3N5O.C35H37F3N4O.C34H36F3N5O.C33H33ClF3N5O.C32H34ClN5O.C27H25N3O/c1-22-5-7-26(16-28(22)33-19-34(20-33,21-33)31-17-39-32-40-23(2)13-24(3)43(31)32)30(44)15-25-6-8-27(29(14-25)35(36,37)38)18-42-11-9-41(4)10-12-42;1-22-9-12-41(13-10-22)18-26-8-6-24(14-28(26)35(36,37)38)15-30(43)25-7-5-23(2)27(16-25)33-19-34(20-33,21-33)31-17-40-32-29(39)4-3-11-42(31)32;1-22-4-6-25(16-27(22)32-19-33(20-32,21-32)30-17-39-31-23(2)38-8-9-42(30)31)29(43)15-24-5-7-26(28(14-24)34(35,36)37)18-41-12-10-40(3)11-13-41;1-21-3-5-23(13-25(21)31-17-32(18-31,19-31)28-15-38-30-14-29(34)39-20-42(28)30)27(43)12-22-4-6-24(26(11-22)33(35,36)37)16-41-9-7-40(2)8-10-41;1-22-3-5-24(28(39)14-23-4-6-25(27(33)13-23)17-37-11-9-36(2)10-12-37)15-26(22)31-18-32(19-31,20-31)29-16-35-30-7-8-34-21-38(29)30;1-18-4-3-5-20(10-18)11-23(31)21-7-6-19(2)22(12-21)26-14-27(15-26,16-26)24-13-29-25-8-9-28-17-30(24)25/h5-8,13-14,16-17H,9-12,15,18-21H2,1-4H3;3-8,11,14,16-17,22H,9-10,12-13,15,18-21,39H2,1-2H3;4-9,14,16-17H,10-13,15,18-21H2,1-3H3;3-6,11,13-15,20H,7-10,12,16-19H2,1-2H3;3-8,13,15-16,21H,9-12,14,17-20H2,1-2H3;3-10,12-13,17H,11,14-16H2,1-2H3
InChIKeyLJCDBKPTIRMWDR-UHFFFAOYSA-N
XLogP36.04
TPSA325.85 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds40
Heavy Atoms243
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003331.84
LogP ≤ 536.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone (CID 167613238) is 1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone is Cc1cc(C)n2c(C34CC(c5cc(C(=O)Cc6ccc(CN7CCN(C)CC7)c(C(F)(F)F)c6)ccc5C)(C3)C4)cnc2n1.Cc1ccc(C(=O)Cc2ccc(CN3CCC(C)CC3)c(C(F)(F)F)c2)cc1C12CC(c3cnc4c(N)cccn34)(C1)C2.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C12CC(c3cnc4c(C)nccn34)(C1)C2.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C12CC(c3cnc4cc(Cl)ncn34)(C1)C2.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1C12CC(c3cnc4ccncn34)(C1)C2.Cc1cccc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ccncn56)(C3)C4)c2)c1.
What is the InChIKey of 1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is LJCDBKPTIRMWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38F3N5O.C35H37F3N4O.C34H36F3N5O.C33H33ClF3N5O.C32H34ClN5O.C27H25N3O/c1-22-5-7-26(16-28(22)33-19-34(20-33,21-33)31-17-39-32-40-23(2)13-24(3)43(31)32)30(44)15-25-6-8-27(29(14-25)35(36,37)38)18-42-11-9-41(4)10-12-42;1-22-9-12-41(13-10-22)18-26-8-6-24(14-28(26)35(36,37)38)15-30(43)25-7-5-23(2)27(16-25)33-19-34(20-33,21-33)31-17-40-32-29(39)4-3-11-42(31)32;1-22-4-6-25(16-27(22)32-19-33(20-32,21-32)30-17-39-31-23(2)38-8-9-42(30)31)29(43)15-24-5-7-26(28(14-24)34(35,36)37)18-41-12-10-40(3)11-13-41;1-21-3-5-23(13-25(21)31-17-32(18-31,19-31)28-15-38-30-14-29(34)39-20-42(28)30)27(43)12-22-4-6-24(26(11-22)33(35,36)37)16-41-9-7-40(2)8-10-41;1-22-3-5-24(28(39)14-23-4-6-25(27(33)13-23)17-37-11-9-36(2)10-12-37)15-26(22)31-18-32(19-31,20-31)29-16-35-30-7-8-34-21-38(29)30;1-18-4-3-5-20(10-18)11-23(31)21-7-6-19(2)22(12-21)26-14-27(15-26,16-26)24-13-29-25-8-9-28-17-30(24)25/h5-8,13-14,16-17H,9-12,15,18-21H2,1-4H3;3-8,11,14,16-17,22H,9-10,12-13,15,18-21,39H2,1-2H3;4-9,14,16-17H,10-13,15,18-21H2,1-3H3;3-6,11,13-15,20H,7-10,12,16-19H2,1-2H3;3-8,13,15-16,21H,9-12,14,17-20H2,1-2H3;3-10,12-13,17H,11,14-16H2,1-2H3.
What are the key properties of 1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone?
1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 3331.84 g/mol, XLogP of 36.04, 40 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(8-aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 167613238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).