2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide

C285H395F12N41O34S — CID 159927516

IUPAC2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide
SMILESCCC(=O)NC(C(=O)N1CCN(C(C)C)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CC2(C1)CC(F)(F)C2)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(C)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2C2CCCC2)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(C)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(F)(F)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(O)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(Oc2ccccc2)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCSCC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1
InChIInChI=1S/C40H52FN5O5.C38H54FN5O4.C36H53FN6O4.C35H46F3N5O4.C35H50FN5O4.C34H46F3N5O4.C34H48FN5O5.C33H46FN5O4S/c1-5-36(48)43-37(40(50)45-22-19-32(20-23-45)51-31-10-8-7-9-11-31)27(4)29-16-17-30(33(41)24-29)25-35(47)38(28-14-12-26(3)13-15-28)44-39(49)34-18-21-42-46(34)6-2;1-5-34(46)41-35(38(48)43-20-17-25(3)18-21-43)26(4)28-14-15-29(31(39)22-28)23-33(45)36(27-12-10-24(2)11-13-27)42-37(47)32-16-19-40-44(32)30-8-6-7-9-30;1-7-32(45)39-33(36(47)42-19-17-41(18-20-42)23(3)4)25(6)27-13-14-28(29(37)21-27)22-31(44)34(26-11-9-24(5)10-12-26)40-35(46)30-15-16-38-43(30)8-2;1-5-29(45)40-30(33(47)42-19-34(20-42)17-35(37,38)18-34)22(4)24-11-12-25(26(36)15-24)16-28(44)31(23-9-7-21(3)8-10-23)41-32(46)27-13-14-39-43(27)6-2;1-6-31(43)38-32(35(45)40-18-15-23(4)16-19-40)24(5)26-12-13-27(28(36)20-26)21-30(42)33(25-10-8-22(3)9-11-25)39-34(44)29-14-17-37-41(29)7-2;1-5-29(44)39-30(33(46)41-17-14-34(36,37)15-18-41)22(4)24-11-12-25(26(35)19-24)20-28(43)31(23-9-7-21(3)8-10-23)40-32(45)27-13-16-38-42(27)6-2;1-5-30(43)37-31(34(45)39-17-14-26(41)15-18-39)22(4)24-11-12-25(27(35)19-24)20-29(42)32(23-9-7-21(3)8-10-23)38-33(44)28-13-16-36-40(28)6-2;1-5-29(41)36-30(33(43)38-15-17-44-18-16-38)22(4)24-11-12-25(26(34)19-24)20-28(40)31(23-9-7-21(3)8-10-23)37-32(42)27-13-14-35-39(27)6-2/h7-11,16-18,21,24,26-28,32,37-38H,5-6,12-15,19-20,22-23,25H2,1-4H3,(H,43,48)(H,44,49);14-16,19,22,24-27,30,35-36H,5-13,17-18,20-21,23H2,1-4H3,(H,41,46)(H,42,47);13-16,21,23-26,33-34H,7-12,17-20,22H2,1-6H3,(H,39,45)(H,40,46);11-15,21-23,30-31H,5-10,16-20H2,1-4H3,(H,40,45)(H,41,46);12-14,17,20,22-25,32-33H,6-11,15-16,18-19,21H2,1-5H3,(H,38,43)(H,39,44);11-13,16,19,21-23,30-31H,5-10,14-15,17-18,20H2,1-4H3,(H,39,44)(H,40,45);11-13,16,19,21-23,26,31-32,41H,5-10,14-15,17-18,20H2,1-4H3,(H,37,43)(H,38,44);11-14,19,21-23,30-31H,5-10,15-18,20H2,1-4H3,(H,36,41)(H,37,42)/t26?,27-,28?,37+,38-;24?,26-,27?,35+,36-;24?,25-,26?,33?,34-;21?,22-,23?,30+,31-;22?,24-,25?,32+,33-;21?,22-,23?,30+,31-;21?,22-,23?,31+,32-;21?,22-,23?,30+,31-/m00000000/s1
InChIKeyNZFFAOUWYGEBAC-LYMOLWCCSA-N
MW5199.59 g/mol
LogP39.52
Rot. Bonds99

About 2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide

2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide (PubChem CID 159927516) has the molecular formula C285H395F12N41O34S and a molecular weight of 5199.59 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide
PubChem CID159927516
Molecular FormulaC285H395F12N41O34S
Molecular Weight5199.59 g/mol
Exact Mass5196.00
IUPAC Name2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide
SMILESCCC(=O)NC(C(=O)N1CCN(C(C)C)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CC2(C1)CC(F)(F)C2)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(C)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2C2CCCC2)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(C)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(F)(F)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(O)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(Oc2ccccc2)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCSCC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1
InChIInChI=1S/C40H52FN5O5.C38H54FN5O4.C36H53FN6O4.C35H46F3N5O4.C35H50FN5O4.C34H46F3N5O4.C34H48FN5O5.C33H46FN5O4S/c1-5-36(48)43-37(40(50)45-22-19-32(20-23-45)51-31-10-8-7-9-11-31)27(4)29-16-17-30(33(41)24-29)25-35(47)38(28-14-12-26(3)13-15-28)44-39(49)34-18-21-42-46(34)6-2;1-5-34(46)41-35(38(48)43-20-17-25(3)18-21-43)26(4)28-14-15-29(31(39)22-28)23-33(45)36(27-12-10-24(2)11-13-27)42-37(47)32-16-19-40-44(32)30-8-6-7-9-30;1-7-32(45)39-33(36(47)42-19-17-41(18-20-42)23(3)4)25(6)27-13-14-28(29(37)21-27)22-31(44)34(26-11-9-24(5)10-12-26)40-35(46)30-15-16-38-43(30)8-2;1-5-29(45)40-30(33(47)42-19-34(20-42)17-35(37,38)18-34)22(4)24-11-12-25(26(36)15-24)16-28(44)31(23-9-7-21(3)8-10-23)41-32(46)27-13-14-39-43(27)6-2;1-6-31(43)38-32(35(45)40-18-15-23(4)16-19-40)24(5)26-12-13-27(28(36)20-26)21-30(42)33(25-10-8-22(3)9-11-25)39-34(44)29-14-17-37-41(29)7-2;1-5-29(44)39-30(33(46)41-17-14-34(36,37)15-18-41)22(4)24-11-12-25(26(35)19-24)20-28(43)31(23-9-7-21(3)8-10-23)40-32(45)27-13-16-38-42(27)6-2;1-5-30(43)37-31(34(45)39-17-14-26(41)15-18-39)22(4)24-11-12-25(27(35)19-24)20-29(42)32(23-9-7-21(3)8-10-23)38-33(44)28-13-16-36-40(28)6-2;1-5-29(41)36-30(33(43)38-15-17-44-18-16-38)22(4)24-11-12-25(26(34)19-24)20-28(40)31(23-9-7-21(3)8-10-23)37-32(42)27-13-14-35-39(27)6-2/h7-11,16-18,21,24,26-28,32,37-38H,5-6,12-15,19-20,22-23,25H2,1-4H3,(H,43,48)(H,44,49);14-16,19,22,24-27,30,35-36H,5-13,17-18,20-21,23H2,1-4H3,(H,41,46)(H,42,47);13-16,21,23-26,33-34H,7-12,17-20,22H2,1-6H3,(H,39,45)(H,40,46);11-15,21-23,30-31H,5-10,16-20H2,1-4H3,(H,40,45)(H,41,46);12-14,17,20,22-25,32-33H,6-11,15-16,18-19,21H2,1-5H3,(H,38,43)(H,39,44);11-13,16,19,21-23,30-31H,5-10,14-15,17-18,20H2,1-4H3,(H,39,44)(H,40,45);11-13,16,19,21-23,26,31-32,41H,5-10,14-15,17-18,20H2,1-4H3,(H,37,43)(H,38,44);11-14,19,21-23,30-31H,5-10,15-18,20H2,1-4H3,(H,36,41)(H,37,42)/t26?,27-,28?,37+,38-;24?,26-,27?,35+,36-;24?,25-,26?,33?,34-;21?,22-,23?,30+,31-;22?,24-,25?,32+,33-;21?,22-,23?,30+,31-;21?,22-,23?,31+,32-;21?,22-,23?,30+,31-/m00000000/s1
InChIKeyNZFFAOUWYGEBAC-LYMOLWCCSA-N
XLogP39.52
TPSA939.90 Ų
H-Bond Donors17
H-Bond Acceptors52
Rotatable Bonds99
Heavy Atoms373
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005199.59
LogP ≤ 539.52
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1052

Analyze 2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one;2-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one;2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 158562123
benzene;2-cyclopentyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide;N-[(1S)-2-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2S,3R)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide)
CID 167617074
4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one
CID 157121858
CID 160274670
CID 160274670

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide (CID 159927516) is 2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide is CCC(=O)NC(C(=O)N1CCN(C(C)C)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CC2(C1)CC(F)(F)C2)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(C)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2C2CCCC2)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(C)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(F)(F)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(O)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCC(Oc2ccccc2)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCSCC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.
What is the InChIKey of 2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide?
The InChIKey is NZFFAOUWYGEBAC-LYMOLWCCSA-N. The full InChI is InChI=1S/C40H52FN5O5.C38H54FN5O4.C36H53FN6O4.C35H46F3N5O4.C35H50FN5O4.C34H46F3N5O4.C34H48FN5O5.C33H46FN5O4S/c1-5-36(48)43-37(40(50)45-22-19-32(20-23-45)51-31-10-8-7-9-11-31)27(4)29-16-17-30(33(41)24-29)25-35(47)38(28-14-12-26(3)13-15-28)44-39(49)34-18-21-42-46(34)6-2;1-5-34(46)41-35(38(48)43-20-17-25(3)18-21-43)26(4)28-14-15-29(31(39)22-28)23-33(45)36(27-12-10-24(2)11-13-27)42-37(47)32-16-19-40-44(32)30-8-6-7-9-30;1-7-32(45)39-33(36(47)42-19-17-41(18-20-42)23(3)4)25(6)27-13-14-28(29(37)21-27)22-31(44)34(26-11-9-24(5)10-12-26)40-35(46)30-15-16-38-43(30)8-2;1-5-29(45)40-30(33(47)42-19-34(20-42)17-35(37,38)18-34)22(4)24-11-12-25(26(36)15-24)16-28(44)31(23-9-7-21(3)8-10-23)41-32(46)27-13-14-39-43(27)6-2;1-6-31(43)38-32(35(45)40-18-15-23(4)16-19-40)24(5)26-12-13-27(28(36)20-26)21-30(42)33(25-10-8-22(3)9-11-25)39-34(44)29-14-17-37-41(29)7-2;1-5-29(44)39-30(33(46)41-17-14-34(36,37)15-18-41)22(4)24-11-12-25(26(35)19-24)20-28(43)31(23-9-7-21(3)8-10-23)40-32(45)27-13-16-38-42(27)6-2;1-5-30(43)37-31(34(45)39-17-14-26(41)15-18-39)22(4)24-11-12-25(27(35)19-24)20-29(42)32(23-9-7-21(3)8-10-23)38-33(44)28-13-16-36-40(28)6-2;1-5-29(41)36-30(33(43)38-15-17-44-18-16-38)22(4)24-11-12-25(26(34)19-24)20-28(40)31(23-9-7-21(3)8-10-23)37-32(42)27-13-14-35-39(27)6-2/h7-11,16-18,21,24,26-28,32,37-38H,5-6,12-15,19-20,22-23,25H2,1-4H3,(H,43,48)(H,44,49);14-16,19,22,24-27,30,35-36H,5-13,17-18,20-21,23H2,1-4H3,(H,41,46)(H,42,47);13-16,21,23-26,33-34H,7-12,17-20,22H2,1-6H3,(H,39,45)(H,40,46);11-15,21-23,30-31H,5-10,16-20H2,1-4H3,(H,40,45)(H,41,46);12-14,17,20,22-25,32-33H,6-11,15-16,18-19,21H2,1-5H3,(H,38,43)(H,39,44);11-13,16,19,21-23,30-31H,5-10,14-15,17-18,20H2,1-4H3,(H,39,44)(H,40,45);11-13,16,19,21-23,26,31-32,41H,5-10,14-15,17-18,20H2,1-4H3,(H,37,43)(H,38,44);11-14,19,21-23,30-31H,5-10,15-18,20H2,1-4H3,(H,36,41)(H,37,42)/t26?,27-,28?,37+,38-;24?,26-,27?,35+,36-;24?,25-,26?,33?,34-;21?,22-,23?,30+,31-;22?,24-,25?,32+,33-;21?,22-,23?,30+,31-;21?,22-,23?,31+,32-;21?,22-,23?,30+,31-/m00000000/s1.
What are the key properties of 2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide?
2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide has a molecular weight of 5199.59 g/mol, XLogP of 39.52, 99 rotatable bonds, 17 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-hydroxypiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-4-(4-phenoxypiperidin-1-yl)-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-thiomorpholin-4-ylbutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide is sourced from PubChem (CID 159927516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).