benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride

C181H209Cl2F8N41O17 — CID 162220008

IUPACbenzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
SMILESCc1nc2c(F)cc(-c3nc(Cc4ccc(CN5CCN(CC(=O)O)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Cc4ccc(CN5CCN(CC(=O)O)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Cc4ccc(CN5CCN(CC(=O)OCc6ccccc6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Cc4ccc(CN5CCNCC5)cn4)ncc3F)cc2n1C(C)C.Cl.Cl.O=C1CC[C@H](N2Cc3cc(N4CCN(C(=O)C5CCCCC5)CC4)ccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3cc(N4CCN(C(=O)C5CCNCC5)CC4)ccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C35H37F2N7O2.2C28H31F2N7O2.C26H29F2N7.C24H30N4O4.C23H29N5O4.C17H20N4O3.2ClH/c1-23(2)44-24(3)40-35-29(36)15-27(16-31(35)44)34-30(37)19-39-32(41-34)17-28-10-9-26(18-38-28)20-42-11-13-43(14-12-42)21-33(45)46-22-25-7-5-4-6-8-25;2*1-17(2)37-18(3)33-28-22(29)10-20(11-24(28)37)27-23(30)14-32-25(34-27)12-21-5-4-19(13-31-21)15-35-6-8-36(9-7-35)16-26(38)39;1-16(2)35-17(3)32-26-21(27)10-19(11-23(26)35)25-22(28)14-31-24(33-25)12-20-5-4-18(13-30-20)15-34-8-6-29-7-9-34;29-21-9-8-20(22(30)25-21)28-15-17-14-18(6-7-19(17)24(28)32)26-10-12-27(13-11-26)23(31)16-4-2-1-3-5-16;29-20-4-3-19(21(30)25-20)28-14-16-13-17(1-2-18(16)23(28)32)26-9-11-27(12-10-26)22(31)15-5-7-24-8-6-15;22-15-4-3-14(16(23)19-15)21-10-11-9-12(1-2-13(11)17(21)24)20-7-5-18-6-8-20;;/h4-10,15-16,18-19,23H,11-14,17,20-22H2,1-3H3;2*4-5,10-11,13-14,17H,6-9,12,15-16H2,1-3H3,(H,38,39);4-5,10-11,13-14,16,29H,6-9,12,15H2,1-3H3;6-7,14,16,20H,1-5,8-13,15H2,(H,25,29,30);1-2,13,15,19,24H,3-12,14H2,(H,25,29,30);1-2,9,14,18H,3-8,10H2,(H,19,22,23);2*1H/t;;;;20-;19-;14-;;/m....000../s1
InChIKeyHKQZXYWCATZTKT-ABUCARJQSA-N
MW3453.82 g/mol
LogP19.73
Rot. Bonds40

About benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride

benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride (PubChem CID 162220008) has the molecular formula C181H209Cl2F8N41O17 and a molecular weight of 3453.82 g/mol. Its IUPAC name is benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride.

Molecular Properties

Compound Namebenzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
PubChem CID162220008
Molecular FormulaC181H209Cl2F8N41O17
Molecular Weight3453.82 g/mol
Exact Mass3450.60
IUPAC Namebenzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
SMILESCc1nc2c(F)cc(-c3nc(Cc4ccc(CN5CCN(CC(=O)O)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Cc4ccc(CN5CCN(CC(=O)O)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Cc4ccc(CN5CCN(CC(=O)OCc6ccccc6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Cc4ccc(CN5CCNCC5)cn4)ncc3F)cc2n1C(C)C.Cl.Cl.O=C1CC[C@H](N2Cc3cc(N4CCN(C(=O)C5CCCCC5)CC4)ccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3cc(N4CCN(C(=O)C5CCNCC5)CC4)ccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C35H37F2N7O2.2C28H31F2N7O2.C26H29F2N7.C24H30N4O4.C23H29N5O4.C17H20N4O3.2ClH/c1-23(2)44-24(3)40-35-29(36)15-27(16-31(35)44)34-30(37)19-39-32(41-34)17-28-10-9-26(18-38-28)20-42-11-13-43(14-12-42)21-33(45)46-22-25-7-5-4-6-8-25;2*1-17(2)37-18(3)33-28-22(29)10-20(11-24(28)37)27-23(30)14-32-25(34-27)12-21-5-4-19(13-31-21)15-35-6-8-36(9-7-35)16-26(38)39;1-16(2)35-17(3)32-26-21(27)10-19(11-23(26)35)25-22(28)14-31-24(33-25)12-20-5-4-18(13-30-20)15-34-8-6-29-7-9-34;29-21-9-8-20(22(30)25-21)28-15-17-14-18(6-7-19(17)24(28)32)26-10-12-27(13-11-26)23(31)16-4-2-1-3-5-16;29-20-4-3-19(21(30)25-20)28-14-16-13-17(1-2-18(16)23(28)32)26-9-11-27(12-10-26)22(31)15-5-7-24-8-6-15;22-15-4-3-14(16(23)19-15)21-10-11-9-12(1-2-13(11)17(21)24)20-7-5-18-6-8-20;;/h4-10,15-16,18-19,23H,11-14,17,20-22H2,1-3H3;2*4-5,10-11,13-14,17H,6-9,12,15-16H2,1-3H3,(H,38,39);4-5,10-11,13-14,16,29H,6-9,12,15H2,1-3H3;6-7,14,16,20H,1-5,8-13,15H2,(H,25,29,30);1-2,13,15,19,24H,3-12,14H2,(H,25,29,30);1-2,9,14,18H,3-8,10H2,(H,19,22,23);2*1H/t;;;;20-;19-;14-;;/m....000../s1
InChIKeyHKQZXYWCATZTKT-ABUCARJQSA-N
XLogP19.73
TPSA635.41 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds40
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003453.82
LogP ≤ 519.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate
CID 157096509
(2S)-3-[4-[3-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxymethyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl]phenyl]-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]propanoic acid;(2S)-3-[4-[3-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[5-[methyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxymethyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl]phenyl]-2-[[5-[methyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 157575443
N-[(2S)-1-[8-(4,5-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;N-[(2S)-1-[8-(4,5-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
CID 157749342
Tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-amine;2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxylate;hydrochloride
CID 157972960
CID 158072096
CID 158072096
2,6-difluoro-N-[(2S)-1-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-3-oxobutan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-1-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-3-oxobutan-2-yl]-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-1-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-3-oxobutan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
CID 158206586
N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate
CID 158345429
N-[(2S)-1-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
CID 158456481
N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide
CID 158779810
7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-pyridin-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;benzyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;tert-butyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;1-ethoxycarbonyloxyethyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;propan-2-yl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 159066386
methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,6-dimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
CID 159081473
methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;bis(methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1,4,6-trimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate)
CID 159276330

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride?
The IUPAC name of benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride (CID 162220008) is benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride.
What is the SMILES notation for benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride?
The canonical SMILES for benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride is Cc1nc2c(F)cc(-c3nc(Cc4ccc(CN5CCN(CC(=O)O)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Cc4ccc(CN5CCN(CC(=O)O)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Cc4ccc(CN5CCN(CC(=O)OCc6ccccc6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Cc4ccc(CN5CCNCC5)cn4)ncc3F)cc2n1C(C)C.Cl.Cl.O=C1CC[C@H](N2Cc3cc(N4CCN(C(=O)C5CCCCC5)CC4)ccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3cc(N4CCN(C(=O)C5CCNCC5)CC4)ccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride?
The InChIKey is HKQZXYWCATZTKT-ABUCARJQSA-N. The full InChI is InChI=1S/C35H37F2N7O2.2C28H31F2N7O2.C26H29F2N7.C24H30N4O4.C23H29N5O4.C17H20N4O3.2ClH/c1-23(2)44-24(3)40-35-29(36)15-27(16-31(35)44)34-30(37)19-39-32(41-34)17-28-10-9-26(18-38-28)20-42-11-13-43(14-12-42)21-33(45)46-22-25-7-5-4-6-8-25;2*1-17(2)37-18(3)33-28-22(29)10-20(11-24(28)37)27-23(30)14-32-25(34-27)12-21-5-4-19(13-31-21)15-35-6-8-36(9-7-35)16-26(38)39;1-16(2)35-17(3)32-26-21(27)10-19(11-23(26)35)25-22(28)14-31-24(33-25)12-20-5-4-18(13-30-20)15-34-8-6-29-7-9-34;29-21-9-8-20(22(30)25-21)28-15-17-14-18(6-7-19(17)24(28)32)26-10-12-27(13-11-26)23(31)16-4-2-1-3-5-16;29-20-4-3-19(21(30)25-20)28-14-16-13-17(1-2-18(16)23(28)32)26-9-11-27(12-10-26)22(31)15-5-7-24-8-6-15;22-15-4-3-14(16(23)19-15)21-10-11-9-12(1-2-13(11)17(21)24)20-7-5-18-6-8-20;;/h4-10,15-16,18-19,23H,11-14,17,20-22H2,1-3H3;2*4-5,10-11,13-14,17H,6-9,12,15-16H2,1-3H3,(H,38,39);4-5,10-11,13-14,16,29H,6-9,12,15H2,1-3H3;6-7,14,16,20H,1-5,8-13,15H2,(H,25,29,30);1-2,13,15,19,24H,3-12,14H2,(H,25,29,30);1-2,9,14,18H,3-8,10H2,(H,19,22,23);2*1H/t;;;;20-;19-;14-;;/m....000../s1.
What are the key properties of benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride?
benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride has a molecular weight of 3453.82 g/mol, XLogP of 19.73, 40 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetate;(3S)-3-[6-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid);4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylbenzimidazole;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-[3-oxo-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride is sourced from PubChem (CID 162220008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).