N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide

C190H268F7N35O22S — CID 157061450

IUPACN-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide
SMILESCCS(=O)(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)N[C@@H](C)c1ncc(-c2ccc(C)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCCC3)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCCCC3)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC3CC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)C(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCC[C@@H]3C)NC(=O)CCC(C)(C)C)[nH]2)c(F)c1
InChIInChI=1S/C28H38FN5O3.3C28H40FN5O3.2C27H38FN5O3.C24H34FN5O4S/c1-17-7-11-21(22(29)14-17)24-16-30-27(33-24)19(3)31-28(37)23(32-25(35)12-10-20-8-9-20)15-26(36)34-13-5-4-6-18(34)2;1-17-9-10-20(21(29)14-17)23-16-30-26(33-23)19(3)31-27(37)22(32-24(35)11-12-28(4,5)6)15-25(36)34-13-7-8-18(34)2;1-17(2)9-12-25(35)32-23(15-26(36)34-13-7-6-8-19(34)4)28(37)31-20(5)27-30-16-24(33-27)21-11-10-18(3)14-22(21)29;1-18(2)9-12-25(35)32-23(16-26(36)34-13-7-5-6-8-14-34)28(37)31-20(4)27-30-17-24(33-27)21-11-10-19(3)15-22(21)29;1-16(2)24(34)15-29-22(13-25(35)33-11-7-6-8-18(33)4)27(36)31-19(5)26-30-14-23(32-26)20-10-9-17(3)12-21(20)28;1-17(2)8-11-24(34)31-22(15-25(35)33-12-6-5-7-13-33)27(36)30-19(4)26-29-16-23(32-26)20-10-9-18(3)14-21(20)28;1-5-35(33,34)29-20(13-22(31)30-11-7-6-8-16(30)3)24(32)27-17(4)23-26-14-21(28-23)18-10-9-15(2)12-19(18)25/h7,11,14,16,18-20,23H,4-6,8-10,12-13,15H2,1-3H3,(H,30,33)(H,31,37)(H,32,35);9-10,14,16,18-19,22H,7-8,11-13,15H2,1-6H3,(H,30,33)(H,31,37)(H,32,35);10-11,14,16-17,19-20,23H,6-9,12-13,15H2,1-5H3,(H,30,33)(H,31,37)(H,32,35);10-11,15,17-18,20,23H,5-9,12-14,16H2,1-4H3,(H,30,33)(H,31,37)(H,32,35);9-10,12,14,16,18-19,22,29H,6-8,11,13,15H2,1-5H3,(H,30,32)(H,31,36);9-10,14,16-17,19,22H,5-8,11-13,15H2,1-4H3,(H,29,32)(H,30,36)(H,31,34);9-10,12,14,16-17,20,29H,5-8,11,13H2,1-4H3,(H,26,28)(H,27,32)/t18-,19-,23-;18-,19-,22-;19-,20-,23-;20-,23-;18-,19-,22-;19-,22-;16-,17-,20-/m0000000/s1
InChIKeyABJNCTQSCLPQKJ-HWWZOCEGSA-N
MW3559.51 g/mol
LogP27.91
Rot. Bonds68

About N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide

N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide (PubChem CID 157061450) has the molecular formula C190H268F7N35O22S and a molecular weight of 3559.51 g/mol. Its IUPAC name is N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide
PubChem CID157061450
Molecular FormulaC190H268F7N35O22S
Molecular Weight3559.51 g/mol
Exact Mass3557.05
IUPAC NameN-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide
SMILESCCS(=O)(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)N[C@@H](C)c1ncc(-c2ccc(C)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCCC3)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCCCC3)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC3CC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)C(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCC[C@@H]3C)NC(=O)CCC(C)(C)C)[nH]2)c(F)c1
InChIInChI=1S/C28H38FN5O3.3C28H40FN5O3.2C27H38FN5O3.C24H34FN5O4S/c1-17-7-11-21(22(29)14-17)24-16-30-27(33-24)19(3)31-28(37)23(32-25(35)12-10-20-8-9-20)15-26(36)34-13-5-4-6-18(34)2;1-17-9-10-20(21(29)14-17)23-16-30-26(33-23)19(3)31-27(37)22(32-24(35)11-12-28(4,5)6)15-25(36)34-13-7-8-18(34)2;1-17(2)9-12-25(35)32-23(15-26(36)34-13-7-6-8-19(34)4)28(37)31-20(5)27-30-16-24(33-27)21-11-10-18(3)14-22(21)29;1-18(2)9-12-25(35)32-23(16-26(36)34-13-7-5-6-8-14-34)28(37)31-20(4)27-30-17-24(33-27)21-11-10-19(3)15-22(21)29;1-16(2)24(34)15-29-22(13-25(35)33-11-7-6-8-18(33)4)27(36)31-19(5)26-30-14-23(32-26)20-10-9-17(3)12-21(20)28;1-17(2)8-11-24(34)31-22(15-25(35)33-12-6-5-7-13-33)27(36)30-19(4)26-29-16-23(32-26)20-10-9-18(3)14-21(20)28;1-5-35(33,34)29-20(13-22(31)30-11-7-6-8-16(30)3)24(32)27-17(4)23-26-14-21(28-23)18-10-9-15(2)12-19(18)25/h7,11,14,16,18-20,23H,4-6,8-10,12-13,15H2,1-3H3,(H,30,33)(H,31,37)(H,32,35);9-10,14,16,18-19,22H,7-8,11-13,15H2,1-6H3,(H,30,33)(H,31,37)(H,32,35);10-11,14,16-17,19-20,23H,6-9,12-13,15H2,1-5H3,(H,30,33)(H,31,37)(H,32,35);10-11,15,17-18,20,23H,5-9,12-14,16H2,1-4H3,(H,30,33)(H,31,37)(H,32,35);9-10,12,14,16,18-19,22,29H,6-8,11,13,15H2,1-5H3,(H,30,32)(H,31,36);9-10,14,16-17,19,22H,5-8,11-13,15H2,1-4H3,(H,29,32)(H,30,36)(H,31,34);9-10,12,14,16-17,20,29H,5-8,11,13H2,1-4H3,(H,26,28)(H,27,32)/t18-,19-,23-;18-,19-,22-;19-,20-,23-;20-,23-;18-,19-,22-;19-,22-;16-,17-,20-/m0000000/s1
InChIKeyABJNCTQSCLPQKJ-HWWZOCEGSA-N
XLogP27.91
TPSA767.40 Ų
H-Bond Donors21
H-Bond Acceptors30
Rotatable Bonds68
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003559.51
LogP ≤ 527.91
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1030

Analyze N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide?
The IUPAC name of N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide (CID 157061450) is N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide is CCS(=O)(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)N[C@@H](C)c1ncc(-c2ccc(C)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCCC3)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCCCC3)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC3CC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)C(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCC[C@@H]3C)NC(=O)CCC(C)(C)C)[nH]2)c(F)c1.
What is the InChIKey of N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide?
The InChIKey is ABJNCTQSCLPQKJ-HWWZOCEGSA-N. The full InChI is InChI=1S/C28H38FN5O3.3C28H40FN5O3.2C27H38FN5O3.C24H34FN5O4S/c1-17-7-11-21(22(29)14-17)24-16-30-27(33-24)19(3)31-28(37)23(32-25(35)12-10-20-8-9-20)15-26(36)34-13-5-4-6-18(34)2;1-17-9-10-20(21(29)14-17)23-16-30-26(33-23)19(3)31-27(37)22(32-24(35)11-12-28(4,5)6)15-25(36)34-13-7-8-18(34)2;1-17(2)9-12-25(35)32-23(15-26(36)34-13-7-6-8-19(34)4)28(37)31-20(5)27-30-16-24(33-27)21-11-10-18(3)14-22(21)29;1-18(2)9-12-25(35)32-23(16-26(36)34-13-7-5-6-8-14-34)28(37)31-20(4)27-30-17-24(33-27)21-11-10-19(3)15-22(21)29;1-16(2)24(34)15-29-22(13-25(35)33-11-7-6-8-18(33)4)27(36)31-19(5)26-30-14-23(32-26)20-10-9-17(3)12-21(20)28;1-17(2)8-11-24(34)31-22(15-25(35)33-12-6-5-7-13-33)27(36)30-19(4)26-29-16-23(32-26)20-10-9-18(3)14-21(20)28;1-5-35(33,34)29-20(13-22(31)30-11-7-6-8-16(30)3)24(32)27-17(4)23-26-14-21(28-23)18-10-9-15(2)12-19(18)25/h7,11,14,16,18-20,23H,4-6,8-10,12-13,15H2,1-3H3,(H,30,33)(H,31,37)(H,32,35);9-10,14,16,18-19,22H,7-8,11-13,15H2,1-6H3,(H,30,33)(H,31,37)(H,32,35);10-11,14,16-17,19-20,23H,6-9,12-13,15H2,1-5H3,(H,30,33)(H,31,37)(H,32,35);10-11,15,17-18,20,23H,5-9,12-14,16H2,1-4H3,(H,30,33)(H,31,37)(H,32,35);9-10,12,14,16,18-19,22,29H,6-8,11,13,15H2,1-5H3,(H,30,32)(H,31,36);9-10,14,16-17,19,22H,5-8,11-13,15H2,1-4H3,(H,29,32)(H,30,36)(H,31,34);9-10,12,14,16-17,20,29H,5-8,11,13H2,1-4H3,(H,26,28)(H,27,32)/t18-,19-,23-;18-,19-,22-;19-,20-,23-;20-,23-;18-,19-,22-;19-,22-;16-,17-,20-/m0000000/s1.
What are the key properties of N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide?
N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide has a molecular weight of 3559.51 g/mol, XLogP of 27.91, 68 rotatable bonds, 21 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(azepan-1-yl)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-(3-cyclopropylpropanoylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-(ethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-4,4-dimethylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 157061450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).