(2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide

C273H367F14N41O37 — CID 158339926

IUPAC(2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)C(F)(F)c2ccc3c(c2)CN=C3)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)[C@@H](C)c2ccc(OC)cc2)C2CCCCC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=O)C(CC(=O)C(F)(F)c2cncc(OC)c2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)C(F)(F)c2ccc(NC)nc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CC(OC)C1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCC(O)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCC(OC)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C37H46F3N5O4.C37H51FN4O5.C35H49FN6O4.C34H45F3N6O4.C34H44F3N5O5.C33H46FN5O5.C32H44FN5O5.C31H42FN5O5/c1-4-33(47)43-34(36(49)45-16-14-44(3)15-17-45)23(2)25-11-13-31(30(38)19-25)42-35(48)29(24-8-6-5-7-9-24)20-32(46)37(39,40)28-12-10-26-21-41-22-27(26)18-28;1-6-34(44)40-35(37(46)42-20-18-41(4)19-21-42)25(3)28-14-17-32(31(38)22-28)39-36(45)30(27-10-8-7-9-11-27)23-33(43)24(2)26-12-15-29(47-5)16-13-26;1-3-33(44)38-30(35(46)41-19-17-40(18-20-41)26-11-8-12-26)22-24-13-14-29(28(36)21-24)39-34(45)27(25-9-6-5-7-10-25)23-32(43)31-15-16-37-42(31)4-2;1-4-31(45)40-28(33(47)43-16-14-42(3)15-17-43)19-22-10-12-27(26(35)18-22)41-32(46)25(23-8-6-5-7-9-23)20-29(44)34(36,37)24-11-13-30(38-2)39-21-24;1-4-31(44)39-29(33(46)42-14-12-41(2)13-15-42)17-22-10-11-28(27(35)16-22)40-32(45)26(23-8-6-5-7-9-23)19-30(43)34(36,37)24-18-25(47-3)21-38-20-24;1-4-31(41)36-28(33(43)38-17-14-24(44-3)15-18-38)20-22-11-12-27(26(34)19-22)37-32(42)25(23-9-7-6-8-10-23)21-30(40)29-13-16-35-39(29)5-2;1-3-30(41)35-27(32(43)37-16-13-23(39)14-17-37)19-21-10-11-26(25(33)18-21)36-31(42)24(22-8-6-5-7-9-22)20-29(40)28-12-15-34-38(28)4-2;1-4-29(39)34-26(31(41)36-18-22(19-36)42-3)16-20-11-12-25(24(32)15-20)35-30(40)23(21-9-7-6-8-10-21)17-28(38)27-13-14-33-37(27)5-2/h10-13,18-19,21,23-24,29,34H,4-9,14-17,20,22H2,1-3H3,(H,42,48)(H,43,47);12-17,22,24-25,27,30,35H,6-11,18-21,23H2,1-5H3,(H,39,45)(H,40,44);13-16,21,25-27,30H,3-12,17-20,22-23H2,1-2H3,(H,38,44)(H,39,45);10-13,18,21,23,25,28H,4-9,14-17,19-20H2,1-3H3,(H,38,39)(H,40,45)(H,41,46);10-11,16,18,20-21,23,26,29H,4-9,12-15,17,19H2,1-3H3,(H,39,44)(H,40,45);11-13,16,19,23-25,28H,4-10,14-15,17-18,20-21H2,1-3H3,(H,36,41)(H,37,42);10-12,15,18,22-24,27,39H,3-9,13-14,16-17,19-20H2,1-2H3,(H,35,41)(H,36,42);11-15,21-23,26H,4-10,16-19H2,1-3H3,(H,34,39)(H,35,40)/t23-,29-,34+;24-,25-,30-,35+;27-,30+;25-,28+;26?,29-;25-,28+;24-,27+;23-,26+/m00001000/s1
InChIKeyGRANILVRQHUZSE-SOOXBNIMSA-N
MW5081.16 g/mol
LogP36.33
Rot. Bonds102

About (2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide

(2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide (PubChem CID 158339926) has the molecular formula C273H367F14N41O37 and a molecular weight of 5081.16 g/mol. Its IUPAC name is (2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide
PubChem CID158339926
Molecular FormulaC273H367F14N41O37
Molecular Weight5081.16 g/mol
Exact Mass5077.79
IUPAC Name(2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)C(F)(F)c2ccc3c(c2)CN=C3)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)[C@@H](C)c2ccc(OC)cc2)C2CCCCC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=O)C(CC(=O)C(F)(F)c2cncc(OC)c2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)C(F)(F)c2ccc(NC)nc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CC(OC)C1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCC(O)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCC(OC)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C37H46F3N5O4.C37H51FN4O5.C35H49FN6O4.C34H45F3N6O4.C34H44F3N5O5.C33H46FN5O5.C32H44FN5O5.C31H42FN5O5/c1-4-33(47)43-34(36(49)45-16-14-44(3)15-17-45)23(2)25-11-13-31(30(38)19-25)42-35(48)29(24-8-6-5-7-9-24)20-32(46)37(39,40)28-12-10-26-21-41-22-27(26)18-28;1-6-34(44)40-35(37(46)42-20-18-41(4)19-21-42)25(3)28-14-17-32(31(38)22-28)39-36(45)30(27-10-8-7-9-11-27)23-33(43)24(2)26-12-15-29(47-5)16-13-26;1-3-33(44)38-30(35(46)41-19-17-40(18-20-41)26-11-8-12-26)22-24-13-14-29(28(36)21-24)39-34(45)27(25-9-6-5-7-10-25)23-32(43)31-15-16-37-42(31)4-2;1-4-31(45)40-28(33(47)43-16-14-42(3)15-17-43)19-22-10-12-27(26(35)18-22)41-32(46)25(23-8-6-5-7-9-23)20-29(44)34(36,37)24-11-13-30(38-2)39-21-24;1-4-31(44)39-29(33(46)42-14-12-41(2)13-15-42)17-22-10-11-28(27(35)16-22)40-32(45)26(23-8-6-5-7-9-23)19-30(43)34(36,37)24-18-25(47-3)21-38-20-24;1-4-31(41)36-28(33(43)38-17-14-24(44-3)15-18-38)20-22-11-12-27(26(34)19-22)37-32(42)25(23-9-7-6-8-10-23)21-30(40)29-13-16-35-39(29)5-2;1-3-30(41)35-27(32(43)37-16-13-23(39)14-17-37)19-21-10-11-26(25(33)18-21)36-31(42)24(22-8-6-5-7-9-22)20-29(40)28-12-15-34-38(28)4-2;1-4-29(39)34-26(31(41)36-18-22(19-36)42-3)16-20-11-12-25(24(32)15-20)35-30(40)23(21-9-7-6-8-10-21)17-28(38)27-13-14-33-37(27)5-2/h10-13,18-19,21,23-24,29,34H,4-9,14-17,20,22H2,1-3H3,(H,42,48)(H,43,47);12-17,22,24-25,27,30,35H,6-11,18-21,23H2,1-5H3,(H,39,45)(H,40,44);13-16,21,25-27,30H,3-12,17-20,22-23H2,1-2H3,(H,38,44)(H,39,45);10-13,18,21,23,25,28H,4-9,14-17,19-20H2,1-3H3,(H,38,39)(H,40,45)(H,41,46);10-11,16,18,20-21,23,26,29H,4-9,12-15,17,19H2,1-3H3,(H,39,44)(H,40,45);11-13,16,19,23-25,28H,4-10,14-15,17-18,20-21H2,1-3H3,(H,36,41)(H,37,42);10-12,15,18,22-24,27,39H,3-9,13-14,16-17,19-20H2,1-2H3,(H,35,41)(H,36,42);11-15,21-23,26H,4-10,16-19H2,1-3H3,(H,34,39)(H,35,40)/t23-,29-,34+;24-,25-,30-,35+;27-,30+;25-,28+;26?,29-;25-,28+;24-,27+;23-,26+/m00001000/s1
InChIKeyGRANILVRQHUZSE-SOOXBNIMSA-N
XLogP36.33
TPSA959.44 Ų
H-Bond Donors18
H-Bond Acceptors54
Rotatable Bonds102
Heavy Atoms365
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005081.16
LogP ≤ 536.33
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1054

Analyze (2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide?
The IUPAC name of (2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide (CID 158339926) is (2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide.
What is the SMILES notation for (2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide?
The canonical SMILES for (2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide is CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)C(F)(F)c2ccc3c(c2)CN=C3)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)[C@@H](C)c2ccc(OC)cc2)C2CCCCC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=O)C(CC(=O)C(F)(F)c2cncc(OC)c2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)C(F)(F)c2ccc(NC)nc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CC(OC)C1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCC(O)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCC(OC)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN(C2CCC2)CC1.
What is the InChIKey of (2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide?
The InChIKey is GRANILVRQHUZSE-SOOXBNIMSA-N. The full InChI is InChI=1S/C37H46F3N5O4.C37H51FN4O5.C35H49FN6O4.C34H45F3N6O4.C34H44F3N5O5.C33H46FN5O5.C32H44FN5O5.C31H42FN5O5/c1-4-33(47)43-34(36(49)45-16-14-44(3)15-17-45)23(2)25-11-13-31(30(38)19-25)42-35(48)29(24-8-6-5-7-9-24)20-32(46)37(39,40)28-12-10-26-21-41-22-27(26)18-28;1-6-34(44)40-35(37(46)42-20-18-41(4)19-21-42)25(3)28-14-17-32(31(38)22-28)39-36(45)30(27-10-8-7-9-11-27)23-33(43)24(2)26-12-15-29(47-5)16-13-26;1-3-33(44)38-30(35(46)41-19-17-40(18-20-41)26-11-8-12-26)22-24-13-14-29(28(36)21-24)39-34(45)27(25-9-6-5-7-10-25)23-32(43)31-15-16-37-42(31)4-2;1-4-31(45)40-28(33(47)43-16-14-42(3)15-17-43)19-22-10-12-27(26(35)18-22)41-32(46)25(23-8-6-5-7-9-23)20-29(44)34(36,37)24-11-13-30(38-2)39-21-24;1-4-31(44)39-29(33(46)42-14-12-41(2)13-15-42)17-22-10-11-28(27(35)16-22)40-32(45)26(23-8-6-5-7-9-23)19-30(43)34(36,37)24-18-25(47-3)21-38-20-24;1-4-31(41)36-28(33(43)38-17-14-24(44-3)15-18-38)20-22-11-12-27(26(34)19-22)37-32(42)25(23-9-7-6-8-10-23)21-30(40)29-13-16-35-39(29)5-2;1-3-30(41)35-27(32(43)37-16-13-23(39)14-17-37)19-21-10-11-26(25(33)18-21)36-31(42)24(22-8-6-5-7-9-22)20-29(40)28-12-15-34-38(28)4-2;1-4-29(39)34-26(31(41)36-18-22(19-36)42-3)16-20-11-12-25(24(32)15-20)35-30(40)23(21-9-7-6-8-10-21)17-28(38)27-13-14-33-37(27)5-2/h10-13,18-19,21,23-24,29,34H,4-9,14-17,20,22H2,1-3H3,(H,42,48)(H,43,47);12-17,22,24-25,27,30,35H,6-11,18-21,23H2,1-5H3,(H,39,45)(H,40,44);13-16,21,25-27,30H,3-12,17-20,22-23H2,1-2H3,(H,38,44)(H,39,45);10-13,18,21,23,25,28H,4-9,14-17,19-20H2,1-3H3,(H,38,39)(H,40,45)(H,41,46);10-11,16,18,20-21,23,26,29H,4-9,12-15,17,19H2,1-3H3,(H,39,44)(H,40,45);11-13,16,19,23-25,28H,4-10,14-15,17-18,20-21H2,1-3H3,(H,36,41)(H,37,42);10-12,15,18,22-24,27,39H,3-9,13-14,16-17,19-20H2,1-2H3,(H,35,41)(H,36,42);11-15,21-23,26H,4-10,16-19H2,1-3H3,(H,34,39)(H,35,40)/t23-,29-,34+;24-,25-,30-,35+;27-,30+;25-,28+;26?,29-;25-,28+;24-,27+;23-,26+/m00001000/s1.
What are the key properties of (2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide?
(2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide has a molecular weight of 5081.16 g/mol, XLogP of 36.33, 102 rotatable bonds, 18 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2R)-3-(4-cyclobutylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]-2-fluorophenyl]-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3H-isoindol-5-yl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(5-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-[6-(methylamino)-3-pyridinyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-hydroxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(3-methoxyazetidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methoxypiperidin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S,5S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(4-methoxyphenyl)-4-oxohexanamide is sourced from PubChem (CID 158339926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).