4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide

C137H195F4N25O20 — CID 167561469

IUPAC4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N(C)Cc1cncn1C)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN[C@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)C(C)c1ccc(CC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N(C)[C@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1
InChIInChI=1S/2C35H51FN6O5.C34H46FN7O5.C33H47FN6O5/c2*1-8-28-33(40-47-39-28)34(45)38-32(24-12-10-20(3)11-13-24)29(43)17-26-15-14-25(16-27(26)36)23(6)31(37-30(44)9-2)35(46)42-18-21(4)41(7)22(5)19-42;1-7-27-32(40-47-39-27)33(45)38-31(22-11-9-20(3)10-12-22)28(43)16-24-14-13-23(15-26(24)35)21(4)30(37-29(44)8-2)34(46)41(5)18-25-17-36-19-42(25)6;1-6-26-31(39-45-38-26)32(43)37-30(22-10-8-19(3)9-11-22)27(41)17-24-13-12-23(16-25(24)34)21(5)29(36-28(42)7-2)33(44)40-15-14-35-20(4)18-40/h2*14-16,20-24,31-32H,8-13,17-19H2,1-7H3,(H,37,44)(H,38,45);13-15,17,19-22,30-31H,7-12,16,18H2,1-6H3,(H,37,44)(H,38,45);12-13,16,19-22,29-30,35H,6-11,14-15,17-18H2,1-5H3,(H,36,42)(H,37,43)/t20?,21-,22+,23?,24?,31-,32+;20?,21-,22-,23+,24?,31-,32+;20?,21-,22?,30+,31-;19?,20-,21+,22?,29-,30+/m1101/s1
InChIKeyDSEOYRPXLWONTG-WPRQUWHHSA-N
MW2588.21 g/mol
LogP15.34
Rot. Bonds50

About 4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide

4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 167561469) has the molecular formula C137H195F4N25O20 and a molecular weight of 2588.21 g/mol. Its IUPAC name is 4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID167561469
Molecular FormulaC137H195F4N25O20
Molecular Weight2588.21 g/mol
Exact Mass2586.49
IUPAC Name4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N(C)Cc1cncn1C)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN[C@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)C(C)c1ccc(CC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N(C)[C@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1
InChIInChI=1S/2C35H51FN6O5.C34H46FN7O5.C33H47FN6O5/c2*1-8-28-33(40-47-39-28)34(45)38-32(24-12-10-20(3)11-13-24)29(43)17-26-15-14-25(16-27(26)36)23(6)31(37-30(44)9-2)35(46)42-18-21(4)41(7)22(5)19-42;1-7-27-32(40-47-39-27)33(45)38-31(22-11-9-20(3)10-12-22)28(43)16-24-14-13-23(15-26(24)35)21(4)30(37-29(44)8-2)34(46)41(5)18-25-17-36-19-42(25)6;1-6-26-31(39-45-38-26)32(43)37-30(22-10-8-19(3)9-11-22)27(41)17-24-13-12-23(16-25(24)34)21(5)29(36-28(42)7-2)33(44)40-15-14-35-20(4)18-40/h2*14-16,20-24,31-32H,8-13,17-19H2,1-7H3,(H,37,44)(H,38,45);13-15,17,19-22,30-31H,7-12,16,18H2,1-6H3,(H,37,44)(H,38,45);12-13,16,19-22,29-30,35H,6-11,14-15,17-18H2,1-5H3,(H,36,42)(H,37,43)/t20?,21-,22+,23?,24?,31-,32+;20?,21-,22-,23+,24?,31-,32+;20?,21-,22?,30+,31-;19?,20-,21+,22?,29-,30+/m1101/s1
InChIKeyDSEOYRPXLWONTG-WPRQUWHHSA-N
XLogP15.34
TPSA574.33 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds50
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002588.21
LogP ≤ 515.34
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze 4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide 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

1-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-fluorophenyl]-3-[4-methyl-3-[2-[1-methyl-2-(5-methyl-1H-imidazol-2-yl)imidazol-4-yl]ethynyl]phenyl]urea;1-[3-[2-[2-(1H-imidazol-2-yl)-1-methylimidazol-4-yl]ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[1-methyl-2-(5-methyl-1H-imidazol-2-yl)imidazol-4-yl]ethynyl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-[2-[1-methyl-2-(5-methyl-1H-imidazol-2-yl)imidazol-4-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[1-methyl-2-(5-nitro-1H-imidazol-2-yl)imidazol-4-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 160276788
(7S)-N-[(3-methylimidazol-3-ium-1-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-piperidin-1-ylethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-2-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-3-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 160465661
4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide
CID 167561471
1-N,4-N-bis[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 44517178
1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 58264173
1-N-[(3S,5S)-5-[[benzoyl(2-phenylethyl)amino]methyl]-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-5-[[benzoyl(2-phenylethyl)amino]methyl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 124021437
(2S)-2-amino-N-[(1S)-1-[4-(2,4-difluorophenyl)-3H-pyrrol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]acetamide;(2S)-N',N'-diethyl-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-(4-methylpentanoylamino)butanediamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide
CID 157382510
(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3-fluoro-4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;bis((3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one);tris((3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one);(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one
CID 157474132
(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3-fluoro-4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;bis((3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one);tris((3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one);(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;methane
CID 157698983
CID 157741121
CID 157741121
(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3-fluoro-4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;tris((3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one);(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one)
CID 157933930
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-benzyl-3-oxo-1H-isoindol-5-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide
CID 158167122

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide (CID 167561469) is 4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide is CCC(=O)N[C@@H](C(=O)N(C)Cc1cncn1C)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN[C@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)C(C)c1ccc(CC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N(C)[C@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.
What is the InChIKey of 4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is DSEOYRPXLWONTG-WPRQUWHHSA-N. The full InChI is InChI=1S/2C35H51FN6O5.C34H46FN7O5.C33H47FN6O5/c2*1-8-28-33(40-47-39-28)34(45)38-32(24-12-10-20(3)11-13-24)29(43)17-26-15-14-25(16-27(26)36)23(6)31(37-30(44)9-2)35(46)42-18-21(4)41(7)22(5)19-42;1-7-27-32(40-47-39-27)33(45)38-31(22-11-9-20(3)10-12-22)28(43)16-24-14-13-23(15-26(24)35)21(4)30(37-29(44)8-2)34(46)41(5)18-25-17-36-19-42(25)6;1-6-26-31(39-45-38-26)32(43)37-30(22-10-8-19(3)9-11-22)27(41)17-24-13-12-23(16-25(24)34)21(5)29(36-28(42)7-2)33(44)40-15-14-35-20(4)18-40/h2*14-16,20-24,31-32H,8-13,17-19H2,1-7H3,(H,37,44)(H,38,45);13-15,17,19-22,30-31H,7-12,16,18H2,1-6H3,(H,37,44)(H,38,45);12-13,16,19-22,29-30,35H,6-11,14-15,17-18H2,1-5H3,(H,36,42)(H,37,43)/t20?,21-,22+,23?,24?,31-,32+;20?,21-,22-,23+,24?,31-,32+;20?,21-,22?,30+,31-;19?,20-,21+,22?,29-,30+/m1101/s1.
What are the key properties of 4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide?
4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 2588.21 g/mol, XLogP of 15.34, 50 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[(3R)-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 167561469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).