2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone

C193H196F3N27O6 — CID 167635108

IUPAC2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
SMILESCc1cc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ccccn56)(C3)C4)c2)cc(-n2cnc(CN(C)C)c2)c1.Cc1cc(CC(=O)c2ccc(C)c(C34CC(c5cnc6cnccn56)(C3)C4)c2)cc(-n2cnc(CC(C)C)c2)c1.Cc1cc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ncccn56)(C3)C4)c2)cc(-n2ccnc2)c1.Cc1cc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ncccn56)(C3)C4)c2)ccc1CN1CCN(C)CC1.Cc1ccc(C(=O)Cc2ccc(CN3CCC(N(C)C)C3)c(C(F)(F)F)c2)cc1C12CC(c3cnc4cnccn34)(C1)C2.Cc1cccc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ccccn56)(C3)C4)c2)c1
InChIInChI=1S/C34H36F3N5O.2C34H35N5O.C33H37N5O.C30H27N5O.C28H26N2O/c1-22-4-6-24(14-27(22)32-19-33(20-32,21-32)30-15-39-31-16-38-9-11-42(30)31)29(43)13-23-5-7-25(28(12-23)34(35,36)37)17-41-10-8-26(18-41)40(2)3;1-22(2)9-27-17-38(21-37-27)28-11-23(3)10-25(12-28)13-30(40)26-6-5-24(4)29(14-26)33-18-34(19-33,20-33)31-15-36-32-16-35-7-8-39(31)32;1-23-11-25(13-28(12-23)38-18-27(36-22-38)17-37(3)4)14-30(40)26-9-8-24(2)29(15-26)33-19-34(20-33,21-33)31-16-35-32-7-5-6-10-39(31)32;1-23-5-7-26(29(39)16-25-6-8-27(24(2)15-25)19-37-13-11-36(3)12-14-37)17-28(23)32-20-33(21-32,22-32)30-18-35-31-34-9-4-10-38(30)31;1-20-10-22(12-24(11-20)34-9-7-31-19-34)13-26(36)23-5-4-21(2)25(14-23)29-16-30(17-29,18-29)27-15-33-28-32-6-3-8-35(27)28;1-19-6-5-7-21(12-19)13-24(31)22-10-9-20(2)23(14-22)27-16-28(17-27,18-27)25-15-29-26-8-3-4-11-30(25)26/h4-7,9,11-12,14-16,26H,8,10,13,17-21H2,1-3H3;5-8,10-12,14-17,21-22H,9,13,18-20H2,1-4H3;5-13,15-16,18,22H,14,17,19-21H2,1-4H3;4-10,15,17-18H,11-14,16,19-22H2,1-3H3;3-12,14-15,19H,13,16-18H2,1-2H3;3-12,14-15H,13,16-18H2,1-2H3
InChIKeyOJCPEDKINPHLGG-UHFFFAOYSA-N
MW3046.87 g/mol
LogP34.49
Rot. Bonds42

About 2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone

2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone (PubChem CID 167635108) has the molecular formula C193H196F3N27O6 and a molecular weight of 3046.87 g/mol. Its IUPAC name is 2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
PubChem CID167635108
Molecular FormulaC193H196F3N27O6
Molecular Weight3046.87 g/mol
Exact Mass3044.58
IUPAC Name2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
SMILESCc1cc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ccccn56)(C3)C4)c2)cc(-n2cnc(CN(C)C)c2)c1.Cc1cc(CC(=O)c2ccc(C)c(C34CC(c5cnc6cnccn56)(C3)C4)c2)cc(-n2cnc(CC(C)C)c2)c1.Cc1cc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ncccn56)(C3)C4)c2)cc(-n2ccnc2)c1.Cc1cc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ncccn56)(C3)C4)c2)ccc1CN1CCN(C)CC1.Cc1ccc(C(=O)Cc2ccc(CN3CCC(N(C)C)C3)c(C(F)(F)F)c2)cc1C12CC(c3cnc4cnccn34)(C1)C2.Cc1cccc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ccccn56)(C3)C4)c2)c1
InChIInChI=1S/C34H36F3N5O.2C34H35N5O.C33H37N5O.C30H27N5O.C28H26N2O/c1-22-4-6-24(14-27(22)32-19-33(20-32,21-32)30-15-39-31-16-38-9-11-42(30)31)29(43)13-23-5-7-25(28(12-23)34(35,36)37)17-41-10-8-26(18-41)40(2)3;1-22(2)9-27-17-38(21-37-27)28-11-23(3)10-25(12-28)13-30(40)26-6-5-24(4)29(14-26)33-18-34(19-33,20-33)31-15-36-32-16-35-7-8-39(31)32;1-23-11-25(13-28(12-23)38-18-27(36-22-38)17-37(3)4)14-30(40)26-9-8-24(2)29(15-26)33-19-34(20-33,21-33)31-16-35-32-7-5-6-10-39(31)32;1-23-5-7-26(29(39)16-25-6-8-27(24(2)15-25)19-37-13-11-36(3)12-14-37)17-28(23)32-20-33(21-32,22-32)30-18-35-31-34-9-4-10-38(30)31;1-20-10-22(12-24(11-20)34-9-7-31-19-34)13-26(36)23-5-4-21(2)25(14-23)29-16-30(17-29,18-29)27-15-33-28-32-6-3-8-35(27)28;1-19-6-5-7-21(12-19)13-24(31)22-10-9-20(2)23(14-22)27-16-28(17-27,18-27)25-15-29-26-8-3-4-11-30(25)26/h4-7,9,11-12,14-16,26H,8,10,13,17-21H2,1-3H3;5-8,10-12,14-17,21-22H,9,13,18-20H2,1-4H3;5-13,15-16,18,22H,14,17,19-21H2,1-4H3;4-10,15,17-18H,11-14,16,19-22H2,1-3H3;3-12,14-15,19H,13,16-18H2,1-2H3;3-12,14-15H,13,16-18H2,1-2H3
InChIKeyOJCPEDKINPHLGG-UHFFFAOYSA-N
XLogP34.49
TPSA327.44 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds42
Heavy Atoms229
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003046.87
LogP ≤ 534.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone (CID 167635108) is 2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone is Cc1cc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ccccn56)(C3)C4)c2)cc(-n2cnc(CN(C)C)c2)c1.Cc1cc(CC(=O)c2ccc(C)c(C34CC(c5cnc6cnccn56)(C3)C4)c2)cc(-n2cnc(CC(C)C)c2)c1.Cc1cc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ncccn56)(C3)C4)c2)cc(-n2ccnc2)c1.Cc1cc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ncccn56)(C3)C4)c2)ccc1CN1CCN(C)CC1.Cc1ccc(C(=O)Cc2ccc(CN3CCC(N(C)C)C3)c(C(F)(F)F)c2)cc1C12CC(c3cnc4cnccn34)(C1)C2.Cc1cccc(CC(=O)c2ccc(C)c(C34CC(c5cnc6ccccn56)(C3)C4)c2)c1.
What is the InChIKey of 2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone?
The InChIKey is OJCPEDKINPHLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F3N5O.2C34H35N5O.C33H37N5O.C30H27N5O.C28H26N2O/c1-22-4-6-24(14-27(22)32-19-33(20-32,21-32)30-15-39-31-16-38-9-11-42(30)31)29(43)13-23-5-7-25(28(12-23)34(35,36)37)17-41-10-8-26(18-41)40(2)3;1-22(2)9-27-17-38(21-37-27)28-11-23(3)10-25(12-28)13-30(40)26-6-5-24(4)29(14-26)33-18-34(19-33,20-33)31-15-36-32-16-35-7-8-39(31)32;1-23-11-25(13-28(12-23)38-18-27(36-22-38)17-37(3)4)14-30(40)26-9-8-24(2)29(15-26)33-19-34(20-33,21-33)31-16-35-32-7-5-6-10-39(31)32;1-23-5-7-26(29(39)16-25-6-8-27(24(2)15-25)19-37-13-11-36(3)12-14-37)17-28(23)32-20-33(21-32,22-32)30-18-35-31-34-9-4-10-38(30)31;1-20-10-22(12-24(11-20)34-9-7-31-19-34)13-26(36)23-5-4-21(2)25(14-23)29-16-30(17-29,18-29)27-15-33-28-32-6-3-8-35(27)28;1-19-6-5-7-21(12-19)13-24(31)22-10-9-20(2)23(14-22)27-16-28(17-27,18-27)25-15-29-26-8-3-4-11-30(25)26/h4-7,9,11-12,14-16,26H,8,10,13,17-21H2,1-3H3;5-8,10-12,14-17,21-22H,9,13,18-20H2,1-4H3;5-13,15-16,18,22H,14,17,19-21H2,1-4H3;4-10,15,17-18H,11-14,16,19-22H2,1-3H3;3-12,14-15,19H,13,16-18H2,1-2H3;3-12,14-15H,13,16-18H2,1-2H3.
What are the key properties of 2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone?
2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone has a molecular weight of 3046.87 g/mol, XLogP of 34.49, 42 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-methylphenyl]-1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyrazin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-5-[4-(2-methylpropyl)imidazol-1-yl]phenyl]ethanone;1-[3-(3-imidazo[1,2-a]pyridin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-imidazol-1-yl-5-methylphenyl)ethanone;1-[3-(3-imidazo[1,2-a]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 167635108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).