(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide

C273H367F10N43O36 — CID 160902203

IUPAC(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide
SMILESCCC(=O)N[C@H](Cc1ccc(NC(=O)C(CC(=O)C(F)(F)c2ccncc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)C(C)(C)c2ccccc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)C2(c3ccccc3)CC2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)Cc2ccc(OC)nc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2coc3c2C(=O)NCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2n[nH]c3c2CNCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2nn(C)c3c2CNCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2noc3c2CNCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C36H47FN4O4.C36H49FN4O4.C34H48FN7O4.C34H44FN5O6.C34H46FN5O5.C33H42F3N5O4.C33H46FN7O4.C33H45FN6O5/c1-3-33(43)38-31(35(45)41-20-18-40(2)19-21-41)23-25-14-15-30(29(37)22-25)39-34(44)28(26-10-6-4-7-11-26)24-32(42)36(16-17-36)27-12-8-5-9-13-27;1-5-33(43)38-31(35(45)41-20-18-40(4)19-21-41)23-25-16-17-30(29(37)22-25)39-34(44)28(26-12-8-6-9-13-26)24-32(42)36(2,3)27-14-10-7-11-15-27;1-4-31(44)37-28(34(46)42-16-14-40(2)15-17-42)19-22-10-11-27(26(35)18-22)38-33(45)24(23-8-6-5-7-9-23)20-30(43)32-25-21-36-13-12-29(25)41(3)39-32;1-3-30(42)37-27(34(45)40-15-13-39(2)14-16-40)18-21-9-10-26(25(35)17-21)38-32(43)23(22-7-5-4-6-8-22)19-28(41)24-20-46-29-11-12-36-33(44)31(24)29;1-4-31(42)37-30(34(44)40-16-14-39(2)15-17-40)20-23-10-12-29(28(35)19-23)38-33(43)27(25-8-6-5-7-9-25)21-26(41)18-24-11-13-32(45-3)36-22-24;1-3-30(43)38-28(32(45)41-17-15-40(2)16-18-41)20-22-9-10-27(26(34)19-22)39-31(44)25(23-7-5-4-6-8-23)21-29(42)33(35,36)24-11-13-37-14-12-24;1-3-30(43)36-28(33(45)41-15-13-40(2)14-16-41)18-21-9-10-27(25(34)17-21)37-32(44)23(22-7-5-4-6-8-22)19-29(42)31-24-20-35-12-11-26(24)38-39-31;1-3-30(42)36-27(33(44)40-15-13-39(2)14-16-40)18-21-9-10-26(25(34)17-21)37-32(43)23(22-7-5-4-6-8-22)19-28(41)31-24-20-35-12-11-29(24)45-38-31/h5,8-9,12-15,22,26,28,31H,3-4,6-7,10-11,16-21,23-24H2,1-2H3,(H,38,43)(H,39,44);7,10-11,14-17,22,26,28,31H,5-6,8-9,12-13,18-21,23-24H2,1-4H3,(H,38,43)(H,39,44);10-11,18,23-24,28,36H,4-9,12-17,19-21H2,1-3H3,(H,37,44)(H,38,45);9-10,17,20,22-23,27H,3-8,11-16,18-19H2,1-2H3,(H,36,44)(H,37,42)(H,38,43);10-13,19,22,25,27,30H,4-9,14-18,20-21H2,1-3H3,(H,37,42)(H,38,43);9-14,19,23,25,28H,3-8,15-18,20-21H2,1-2H3,(H,38,43)(H,39,44);9-10,17,22-23,28,35H,3-8,11-16,18-20H2,1-2H3,(H,36,43)(H,37,44)(H,38,39);9-10,17,22-23,27,35H,3-8,11-16,18-20H2,1-2H3,(H,36,42)(H,37,43)/t2*28-,31+;24-,28+;23-,27+;27-,30+;25?,28-;23-,28+;23-,27+/m00000100/s1
InChIKeySPQRXPSRQSOMIN-UOBVMZDQSA-N
MW5017.18 g/mol
LogP30.11
Rot. Bonds93

About (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide

(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide (PubChem CID 160902203) has the molecular formula C273H367F10N43O36 and a molecular weight of 5017.18 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide
PubChem CID160902203
Molecular FormulaC273H367F10N43O36
Molecular Weight5017.18 g/mol
Exact Mass5013.80
IUPAC Name(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide
SMILESCCC(=O)N[C@H](Cc1ccc(NC(=O)C(CC(=O)C(F)(F)c2ccncc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)C(C)(C)c2ccccc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)C2(c3ccccc3)CC2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)Cc2ccc(OC)nc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2coc3c2C(=O)NCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2n[nH]c3c2CNCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2nn(C)c3c2CNCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2noc3c2CNCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C36H47FN4O4.C36H49FN4O4.C34H48FN7O4.C34H44FN5O6.C34H46FN5O5.C33H42F3N5O4.C33H46FN7O4.C33H45FN6O5/c1-3-33(43)38-31(35(45)41-20-18-40(2)19-21-41)23-25-14-15-30(29(37)22-25)39-34(44)28(26-10-6-4-7-11-26)24-32(42)36(16-17-36)27-12-8-5-9-13-27;1-5-33(43)38-31(35(45)41-20-18-40(4)19-21-41)23-25-16-17-30(29(37)22-25)39-34(44)28(26-12-8-6-9-13-26)24-32(42)36(2,3)27-14-10-7-11-15-27;1-4-31(44)37-28(34(46)42-16-14-40(2)15-17-42)19-22-10-11-27(26(35)18-22)38-33(45)24(23-8-6-5-7-9-23)20-30(43)32-25-21-36-13-12-29(25)41(3)39-32;1-3-30(42)37-27(34(45)40-15-13-39(2)14-16-40)18-21-9-10-26(25(35)17-21)38-32(43)23(22-7-5-4-6-8-22)19-28(41)24-20-46-29-11-12-36-33(44)31(24)29;1-4-31(42)37-30(34(44)40-16-14-39(2)15-17-40)20-23-10-12-29(28(35)19-23)38-33(43)27(25-8-6-5-7-9-25)21-26(41)18-24-11-13-32(45-3)36-22-24;1-3-30(43)38-28(32(45)41-17-15-40(2)16-18-41)20-22-9-10-27(26(34)19-22)39-31(44)25(23-7-5-4-6-8-23)21-29(42)33(35,36)24-11-13-37-14-12-24;1-3-30(43)36-28(33(45)41-15-13-40(2)14-16-41)18-21-9-10-27(25(34)17-21)37-32(44)23(22-7-5-4-6-8-22)19-29(42)31-24-20-35-12-11-26(24)38-39-31;1-3-30(42)36-27(33(44)40-15-13-39(2)14-16-40)18-21-9-10-26(25(34)17-21)37-32(43)23(22-7-5-4-6-8-22)19-28(41)31-24-20-35-12-11-29(24)45-38-31/h5,8-9,12-15,22,26,28,31H,3-4,6-7,10-11,16-21,23-24H2,1-2H3,(H,38,43)(H,39,44);7,10-11,14-17,22,26,28,31H,5-6,8-9,12-13,18-21,23-24H2,1-4H3,(H,38,43)(H,39,44);10-11,18,23-24,28,36H,4-9,12-17,19-21H2,1-3H3,(H,37,44)(H,38,45);9-10,17,20,22-23,27H,3-8,11-16,18-19H2,1-2H3,(H,36,44)(H,37,42)(H,38,43);10-13,19,22,25,27,30H,4-9,14-18,20-21H2,1-3H3,(H,37,42)(H,38,43);9-14,19,23,25,28H,3-8,15-18,20-21H2,1-2H3,(H,38,43)(H,39,44);9-10,17,22-23,28,35H,3-8,11-16,18-20H2,1-2H3,(H,36,43)(H,37,44)(H,38,39);9-10,17,22-23,27,35H,3-8,11-16,18-20H2,1-2H3,(H,36,42)(H,37,43)/t2*28-,31+;24-,28+;23-,27+;27-,30+;25?,28-;23-,28+;23-,27+/m00000100/s1
InChIKeySPQRXPSRQSOMIN-UOBVMZDQSA-N
XLogP30.11
TPSA976.43 Ų
H-Bond Donors21
H-Bond Acceptors53
Rotatable Bonds93
Heavy Atoms362
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005017.18
LogP ≤ 530.11
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1053

Analyze (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide with MolForge

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Related Compounds

(2S)-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanamide;(2S)-2-(4,4-dimethylcyclohexyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[1-(4-fluorophenyl)ethyl]-4-oxobutanamide;2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-phenylpentanamide
CID 157292115
CID 157447821
CID 157447821
(2S)-2-[(1S)-1-cyclohexylethyl]-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-[(1S)-1-cyclohexylethyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;N-[(3S,4R)-4-cyclohexyloxy-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[1-(4-fluorophenyl)ethyl]-4-oxo-4-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 157450549
(2S)-5-(3-cyanophenyl)-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxopentanamide;(2S)-4-[2-(cyclopropylmethyl)pyrazol-3-yl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(5-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(3-propan-2-yl-1,2-oxazol-4-yl)butanamide
CID 159062612
(2S)-2-cycloheptyl-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;(2S)-2-cycloheptyl-4-(2-ethylpyrazol-3-yl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;N-[(1S)-1-cycloheptyl-3-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxopropyl]-2-propan-2-ylpyrazole-3-carboxamide;(2S)-2-cyclohexyl-4-(3-ethyl-1,2-oxazol-4-yl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide
CID 159752161
(2S)-2-cycloheptyl-4-(3-ethyl-1,2-oxazol-4-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cycloheptyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanamide
CID 162025617
N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2-cyclohexyl-2,2-difluoroacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-1-ethylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-6-methoxy-1-benzofuran-3-carboxamide;N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 167610129
(3S)-3-cyclohexyl-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]butanamide;2-cyclopropyl-N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]pyrazole-3-carboxamide;N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-fluorophenyl)-1-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide
CID 167614355
CID 167629537
CID 167629537
N-[(3S)-3-cyclohexyl-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S,3R)-3-cyclohexyloxy-1-[2-fluoro-4-[(2R,3S)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-(4,4-dimethylcyclohexyl)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 167667297
(2S)-2-cycloheptyl-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;(2S)-2-cycloheptyl-4-(2-ethylpyrazol-3-yl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;N-[(1S)-1-cycloheptyl-3-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxopropyl]-2-propan-2-ylpyrazole-3-carboxamide;(2S)-2-cyclohexyl-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(3-ethyl-1,2-oxazol-4-yl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide
CID 167668387
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone;[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]methanone;[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone;[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 157722638

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide?
The IUPAC name of (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide (CID 160902203) is (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide.
What is the SMILES notation for (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide?
The canonical SMILES for (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide is CCC(=O)N[C@H](Cc1ccc(NC(=O)C(CC(=O)C(F)(F)c2ccncc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)C(C)(C)c2ccccc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)C2(c3ccccc3)CC2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)Cc2ccc(OC)nc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2coc3c2C(=O)NCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2n[nH]c3c2CNCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2nn(C)c3c2CNCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2noc3c2CNCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.
What is the InChIKey of (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide?
The InChIKey is SPQRXPSRQSOMIN-UOBVMZDQSA-N. The full InChI is InChI=1S/C36H47FN4O4.C36H49FN4O4.C34H48FN7O4.C34H44FN5O6.C34H46FN5O5.C33H42F3N5O4.C33H46FN7O4.C33H45FN6O5/c1-3-33(43)38-31(35(45)41-20-18-40(2)19-21-41)23-25-14-15-30(29(37)22-25)39-34(44)28(26-10-6-4-7-11-26)24-32(42)36(16-17-36)27-12-8-5-9-13-27;1-5-33(43)38-31(35(45)41-20-18-40(4)19-21-41)23-25-16-17-30(29(37)22-25)39-34(44)28(26-12-8-6-9-13-26)24-32(42)36(2,3)27-14-10-7-11-15-27;1-4-31(44)37-28(34(46)42-16-14-40(2)15-17-42)19-22-10-11-27(26(35)18-22)38-33(45)24(23-8-6-5-7-9-23)20-30(43)32-25-21-36-13-12-29(25)41(3)39-32;1-3-30(42)37-27(34(45)40-15-13-39(2)14-16-40)18-21-9-10-26(25(35)17-21)38-32(43)23(22-7-5-4-6-8-22)19-28(41)24-20-46-29-11-12-36-33(44)31(24)29;1-4-31(42)37-30(34(44)40-16-14-39(2)15-17-40)20-23-10-12-29(28(35)19-23)38-33(43)27(25-8-6-5-7-9-25)21-26(41)18-24-11-13-32(45-3)36-22-24;1-3-30(43)38-28(32(45)41-17-15-40(2)16-18-41)20-22-9-10-27(26(34)19-22)39-31(44)25(23-7-5-4-6-8-23)21-29(42)33(35,36)24-11-13-37-14-12-24;1-3-30(43)36-28(33(45)41-15-13-40(2)14-16-41)18-21-9-10-27(25(34)17-21)37-32(44)23(22-7-5-4-6-8-22)19-29(42)31-24-20-35-12-11-26(24)38-39-31;1-3-30(42)36-27(33(44)40-15-13-39(2)14-16-40)18-21-9-10-26(25(34)17-21)37-32(43)23(22-7-5-4-6-8-22)19-28(41)31-24-20-35-12-11-29(24)45-38-31/h5,8-9,12-15,22,26,28,31H,3-4,6-7,10-11,16-21,23-24H2,1-2H3,(H,38,43)(H,39,44);7,10-11,14-17,22,26,28,31H,5-6,8-9,12-13,18-21,23-24H2,1-4H3,(H,38,43)(H,39,44);10-11,18,23-24,28,36H,4-9,12-17,19-21H2,1-3H3,(H,37,44)(H,38,45);9-10,17,20,22-23,27H,3-8,11-16,18-19H2,1-2H3,(H,36,44)(H,37,42)(H,38,43);10-13,19,22,25,27,30H,4-9,14-18,20-21H2,1-3H3,(H,37,42)(H,38,43);9-14,19,23,25,28H,3-8,15-18,20-21H2,1-2H3,(H,38,43)(H,39,44);9-10,17,22-23,28,35H,3-8,11-16,18-20H2,1-2H3,(H,36,43)(H,37,44)(H,38,39);9-10,17,22-23,27,35H,3-8,11-16,18-20H2,1-2H3,(H,36,42)(H,37,43)/t2*28-,31+;24-,28+;23-,27+;27-,30+;25?,28-;23-,28+;23-,27+/m00000100/s1.
What are the key properties of (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide?
(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide has a molecular weight of 5017.18 g/mol, XLogP of 30.11, 93 rotatable bonds, 21 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-4-ylpentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-methyl-4-oxo-5-phenylhexanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(1-phenylcyclopropyl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl)butanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butanamide is sourced from PubChem (CID 160902203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).