(2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide

C166H233F9N30O19S — CID 162292449

IUPAC(2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide
SMILESCC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)N[C@@H](C)c1ncc(-c2ccc(C)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N(C)C(C)C)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(F)(F)F)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)NS(=O)(=O)CCC3CC3)[nH]2)c(F)c1
InChIInChI=1S/C29H42FN5O3.C28H37F4N5O3.C28H38FN5O3.C28H40FN5O3.C27H38FN5O4S.C26H38FN5O3/c1-6-21-9-7-8-14-35(21)27(37)16-24(33-26(36)13-10-18(2)3)29(38)32-20(5)28-31-17-25(34-28)22-12-11-19(4)15-23(22)30;1-16(2)8-11-24(38)35-21(14-25(39)37-12-6-5-7-23(37)28(30,31)32)27(40)34-18(4)26-33-15-22(36-26)19-10-9-17(3)13-20(19)29;1-17-7-11-21(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(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;1-17-7-10-21(22(28)14-17)24-16-29-26(31-24)19(3)30-27(35)23(32-38(36,37)13-11-20-8-9-20)15-25(34)33-12-5-4-6-18(33)2;1-15(2)8-11-23(33)30-21(13-24(34)32(7)16(3)4)26(35)29-18(6)25-28-14-22(31-25)19-10-9-17(5)12-20(19)27/h11-12,15,17-18,20-21,24H,6-10,13-14,16H2,1-5H3,(H,31,34)(H,32,38)(H,33,36);9-10,13,15-16,18,21,23H,5-8,11-12,14H2,1-4H3,(H,33,36)(H,34,40)(H,35,38);7,11,14,16,18-20,23H,4-6,8-10,12-13,15H2,1-3H3,(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);7,10,14,16,18-20,23,32H,4-6,8-9,11-13,15H2,1-3H3,(H,29,31)(H,30,35);9-10,12,14-16,18,21H,8,11,13H2,1-7H3,(H,28,31)(H,29,35)(H,30,33)/t20-,21-,24-;18-,21-,23+;18-,19-,23-;19-,20-,23-;18-,19-,23-;18-,21-/m000000/s1
InChIKeyAAIPXCKGEXXBGN-BIFRIYCCSA-N
MW3155.93 g/mol
LogP25.80
Rot. Bonds63

About (2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide

(2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide (PubChem CID 162292449) has the molecular formula C166H233F9N30O19S and a molecular weight of 3155.93 g/mol. Its IUPAC name is (2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide.

Molecular Properties

Compound Name(2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide
PubChem CID162292449
Molecular FormulaC166H233F9N30O19S
Molecular Weight3155.93 g/mol
Exact Mass3153.78
IUPAC Name(2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide
SMILESCC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)N[C@@H](C)c1ncc(-c2ccc(C)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N(C)C(C)C)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(F)(F)F)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)NS(=O)(=O)CCC3CC3)[nH]2)c(F)c1
InChIInChI=1S/C29H42FN5O3.C28H37F4N5O3.C28H38FN5O3.C28H40FN5O3.C27H38FN5O4S.C26H38FN5O3/c1-6-21-9-7-8-14-35(21)27(37)16-24(33-26(36)13-10-18(2)3)29(38)32-20(5)28-31-17-25(34-28)22-12-11-19(4)15-23(22)30;1-16(2)8-11-24(38)35-21(14-25(39)37-12-6-5-7-23(37)28(30,31)32)27(40)34-18(4)26-33-15-22(36-26)19-10-9-17(3)13-20(19)29;1-17-7-11-21(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(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;1-17-7-10-21(22(28)14-17)24-16-29-26(31-24)19(3)30-27(35)23(32-38(36,37)13-11-20-8-9-20)15-25(34)33-12-5-4-6-18(33)2;1-15(2)8-11-23(33)30-21(13-24(34)32(7)16(3)4)26(35)29-18(6)25-28-14-22(31-25)19-10-9-17(5)12-20(19)27/h11-12,15,17-18,20-21,24H,6-10,13-14,16H2,1-5H3,(H,31,34)(H,32,38)(H,33,36);9-10,13,15-16,18,21,23H,5-8,11-12,14H2,1-4H3,(H,33,36)(H,34,40)(H,35,38);7,11,14,16,18-20,23H,4-6,8-10,12-13,15H2,1-3H3,(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);7,10,14,16,18-20,23,32H,4-6,8-9,11-13,15H2,1-3H3,(H,29,31)(H,30,35);9-10,12,14-16,18,21H,8,11,13H2,1-7H3,(H,28,31)(H,29,35)(H,30,33)/t20-,21-,24-;18-,21-,23+;18-,19-,23-;19-,20-,23-;18-,19-,23-;18-,21-/m000000/s1
InChIKeyAAIPXCKGEXXBGN-BIFRIYCCSA-N
XLogP25.80
TPSA660.21 Ų
H-Bond Donors18
H-Bond Acceptors25
Rotatable Bonds63
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003155.93
LogP ≤ 525.80
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1025

Analyze (2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide with MolForge

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Related Compounds

1-(4,4-difluoropiperidin-1-yl)-2-[(1S)-3-[5-[4-[4-[2-[(3S,5S)-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]ethane-1,2-dione
CID 117827923
1-[(1S)-3-[5-[4-[4-[2-[(5S)-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione
CID 117828028
1-(4,4-difluoropiperidin-1-yl)-2-[(1S,5S)-3-[5-[4-[4-[2-[(1S,5S)-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]ethane-1,2-dione
CID 118459860
1-(4,4-difluoropiperidin-1-yl)-2-[(1S,3S,5S)-3-[5-[4-[4-[2-[(3S,5S)-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]ethane-1,2-dione
CID 118461052
1-(4,4-difluoropiperidin-1-yl)-2-[(5S)-3-[5-[4-[4-[2-[(1S)-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]ethane-1,2-dione
CID 121391475
1-(4,4-difluoropiperidin-1-yl)-2-[3-[5-[4-[4-[2-[2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]ethane-1,2-dione
CID 123957074
1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-3-[5-[4-[4-[2-[(5S)-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]ethane-1,2-dione
CID 130457281
1-(4,4-difluoropiperidin-1-yl)-2-[(1S,3S,5S)-3-[5-[4-[4-[2-[(1S,3S,5S)-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]ethane-1,2-dione
CID 130457283
1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-3-[5-[4-[4-[2-[(1S,3S)-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]ethane-1,2-dione
CID 144773644
5-[(2S)-1-[(3S)-3-(benzenesulfonamido)-4-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-oxobutanoyl]-2-methylpiperidin-4-yl]-N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-2-yl]-4-methylpentanamide
CID 155179369
(2S,4R)-N-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[4-fluoro-3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one
CID 157480067
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 157650926

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide?
The IUPAC name of (2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide (CID 162292449) is (2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide.
What is the SMILES notation for (2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide?
The canonical SMILES for (2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide is CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)N[C@@H](C)c1ncc(-c2ccc(C)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N(C)C(C)C)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(F)(F)F)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)NS(=O)(=O)CCC3CC3)[nH]2)c(F)c1.
What is the InChIKey of (2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide?
The InChIKey is AAIPXCKGEXXBGN-BIFRIYCCSA-N. The full InChI is InChI=1S/C29H42FN5O3.C28H37F4N5O3.C28H38FN5O3.C28H40FN5O3.C27H38FN5O4S.C26H38FN5O3/c1-6-21-9-7-8-14-35(21)27(37)16-24(33-26(36)13-10-18(2)3)29(38)32-20(5)28-31-17-25(34-28)22-12-11-19(4)15-23(22)30;1-16(2)8-11-24(38)35-21(14-25(39)37-12-6-5-7-23(37)28(30,31)32)27(40)34-18(4)26-33-15-22(36-26)19-10-9-17(3)13-20(19)29;1-17-7-11-21(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(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;1-17-7-10-21(22(28)14-17)24-16-29-26(31-24)19(3)30-27(35)23(32-38(36,37)13-11-20-8-9-20)15-25(34)33-12-5-4-6-18(33)2;1-15(2)8-11-23(33)30-21(13-24(34)32(7)16(3)4)26(35)29-18(6)25-28-14-22(31-25)19-10-9-17(5)12-20(19)27/h11-12,15,17-18,20-21,24H,6-10,13-14,16H2,1-5H3,(H,31,34)(H,32,38)(H,33,36);9-10,13,15-16,18,21,23H,5-8,11-12,14H2,1-4H3,(H,33,36)(H,34,40)(H,35,38);7,11,14,16,18-20,23H,4-6,8-10,12-13,15H2,1-3H3,(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);7,10,14,16,18-20,23,32H,4-6,8-9,11-13,15H2,1-3H3,(H,29,31)(H,30,35);9-10,12,14-16,18,21H,8,11,13H2,1-7H3,(H,28,31)(H,29,35)(H,30,33)/t20-,21-,24-;18-,21-,23+;18-,19-,23-;19-,20-,23-;18-,19-,23-;18-,21-/m000000/s1.
What are the key properties of (2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide?
(2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide has a molecular weight of 3155.93 g/mol, XLogP of 25.80, 63 rotatable bonds, 18 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-cyclopropylethylsulfonylamino)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(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;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]butan-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;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide is sourced from PubChem (CID 162292449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).