N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide

C141H201F4N29O21 — CID 159996395

IUPACN-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C(C)C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccn2)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N(C(=O)CC)[C@@H](C)C1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N(C)[C@H](C)C1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1
InChIInChI=1S/C37H49FN8O5.C36H52FN7O6.2C34H50FN7O5/c1-5-29-34(44-51-43-29)36(49)42-33(25-12-10-23(3)11-13-25)35(48)40-30-15-14-26(21-28(30)38)24(4)32(41-31(47)6-2)37(50)46-19-17-45(18-20-46)22-27-9-7-8-16-39-27;1-8-27-33(42-50-41-27)35(48)40-32(24-13-11-20(4)12-14-24)34(47)38-28-16-15-25(17-26(28)37)23(7)31(39-29(45)9-2)36(49)43-18-21(5)44(22(6)19-43)30(46)10-3;1-8-26-31(40-47-39-26)33(45)38-30(23-12-10-19(3)11-13-23)32(44)36-27-15-14-24(16-25(27)35)22(6)29(37-28(43)9-2)34(46)42-17-20(4)41(7)21(5)18-42;1-7-26-31(40-47-39-26)33(45)38-30(23-11-9-21(5)10-12-23)32(44)36-27-14-13-24(19-25(27)35)22(6)29(37-28(43)8-2)34(46)42-17-15-41(16-18-42)20(3)4/h7-9,14-16,21,23-25,32-33H,5-6,10-13,17-20,22H2,1-4H3,(H,40,48)(H,41,47)(H,42,49);15-17,20-24,31-32H,8-14,18-19H2,1-7H3,(H,38,47)(H,39,45)(H,40,48);14-16,19-23,29-30H,8-13,17-18H2,1-7H3,(H,36,44)(H,37,43)(H,38,45);13-14,19-23,29-30H,7-12,15-18H2,1-6H3,(H,36,44)(H,37,43)(H,38,45)/t23?,24-,25?,32+,33-;20?,21-,22+,23-,24?,31+,32-;19?,20-,21-,22+,23?,29-,30+;21?,22-,23?,29+,30-/m0010/s1
InChIKeyOHPCEVYXDYLGSI-NPICNOEJSA-N
MW2714.33 g/mol
LogP16.03
Rot. Bonds48

About N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide

N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 159996395) has the molecular formula C141H201F4N29O21 and a molecular weight of 2714.33 g/mol. Its IUPAC name is N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID159996395
Molecular FormulaC141H201F4N29O21
Molecular Weight2714.33 g/mol
Exact Mass2712.55
IUPAC NameN-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C(C)C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccn2)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N(C(=O)CC)[C@@H](C)C1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N(C)[C@H](C)C1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1
InChIInChI=1S/C37H49FN8O5.C36H52FN7O6.2C34H50FN7O5/c1-5-29-34(44-51-43-29)36(49)42-33(25-12-10-23(3)11-13-25)35(48)40-30-15-14-26(21-28(30)38)24(4)32(41-31(47)6-2)37(50)46-19-17-45(18-20-46)22-27-9-7-8-16-39-27;1-8-27-33(42-50-41-27)35(48)40-32(24-13-11-20(4)12-14-24)34(47)38-28-16-15-25(17-26(28)37)23(7)31(39-29(45)9-2)36(49)43-18-21(5)44(22(6)19-43)30(46)10-3;1-8-26-31(40-47-39-26)33(45)38-30(23-12-10-19(3)11-13-23)32(44)36-27-15-14-24(16-25(27)35)22(6)29(37-28(43)9-2)34(46)42-17-20(4)41(7)21(5)18-42;1-7-26-31(40-47-39-26)33(45)38-30(23-11-9-21(5)10-12-23)32(44)36-27-14-13-24(19-25(27)35)22(6)29(37-28(43)8-2)34(46)42-17-15-41(16-18-42)20(3)4/h7-9,14-16,21,23-25,32-33H,5-6,10-13,17-20,22H2,1-4H3,(H,40,48)(H,41,47)(H,42,49);15-17,20-24,31-32H,8-14,18-19H2,1-7H3,(H,38,47)(H,39,45)(H,40,48);14-16,19-23,29-30H,8-13,17-18H2,1-7H3,(H,36,44)(H,37,43)(H,38,45);13-14,19-23,29-30H,7-12,15-18H2,1-6H3,(H,36,44)(H,37,43)(H,38,45)/t23?,24-,25?,32+,33-;20?,21-,22+,23-,24?,31+,32-;19?,20-,21-,22+,23?,29-,30+;21?,22-,23?,29+,30-/m0010/s1
InChIKeyOHPCEVYXDYLGSI-NPICNOEJSA-N
XLogP16.03
TPSA629.04 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds48
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002714.33
LogP ≤ 516.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
CID 156188879
N-[(1S)-2-[4-[(2S,3R)-3-[(2-cyclopropyl-2,2-difluoroacetyl)amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-3-[(2-fluoro-2-methylpropanoyl)amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-(2-methylpropanoylamino)-4-oxobutan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;(3R)-4-[[(2R,3S)-3-[4-[[(2S)-2-[(4-ethyl-1,2,5-oxadiazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]amino]-3-methyl-4-oxobutanoic acid
CID 158421200
N-[(1S)-2-[4-[(2S,3R)-3-[(2-cyclopropylacetyl)amino]-4-[(3S)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-2-[4-[(2S,3R)-3-(2,2-difluoropropanoylamino)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-2-[4-[(2S,3R)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-3-[(1-fluorocyclobutanecarbonyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 158679780
N-[(1S)-2-[4-[(2S,3R)-3-(cyclopropanecarbonylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2S,3R)-4-(4,4-difluoropiperidin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-2-[4-[(2S,3R)-3-(2,2-difluoropropanoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-3-[[(2R)-2-fluoropropanoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide
CID 159534719
N-[(1S)-2-[4-[(2S,3R)-3-[(2-cyclopropylacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-2-[4-[(2S,3R)-3-(2,2-difluorobutanoylamino)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-2-[4-[(2S,3R)-3-(2,2-difluoropropanoylamino)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-2-[4-[(2S,3R)-3-(2,2-difluoropropanoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 159630415
CID 159665590
CID 159665590
2-[3-Amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 161187169
N-[(1S)-3-[4-[(2S,3R)-3-(cyclopropanecarbonylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-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]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[4-[(2S,3R)-3-(2,2-difluoropropanoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-3-[[(2R)-2-fluoropropanoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide
CID 167554438
CID 167682995
CID 167682995
CID 167702308
CID 167702308
6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 157190323
6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 157203086

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide (CID 159996395) is N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide is CCC(=O)N[C@@H](C(=O)N1CCN(C(C)C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccn2)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N(C(=O)CC)[C@@H](C)C1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N(C)[C@H](C)C1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)C2CCC(C)CC2)c(F)c1.
What is the InChIKey of N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is OHPCEVYXDYLGSI-NPICNOEJSA-N. The full InChI is InChI=1S/C37H49FN8O5.C36H52FN7O6.2C34H50FN7O5/c1-5-29-34(44-51-43-29)36(49)42-33(25-12-10-23(3)11-13-25)35(48)40-30-15-14-26(21-28(30)38)24(4)32(41-31(47)6-2)37(50)46-19-17-45(18-20-46)22-27-9-7-8-16-39-27;1-8-27-33(42-50-41-27)35(48)40-32(24-13-11-20(4)12-14-24)34(47)38-28-16-15-25(17-26(28)37)23(7)31(39-29(45)9-2)36(49)43-18-21(5)44(22(6)19-43)30(46)10-3;1-8-26-31(40-47-39-26)33(45)38-30(23-12-10-19(3)11-13-23)32(44)36-27-15-14-24(16-25(27)35)22(6)29(37-28(43)9-2)34(46)42-17-20(4)41(7)21(5)18-42;1-7-26-31(40-47-39-26)33(45)38-30(23-11-9-21(5)10-12-23)32(44)36-27-14-13-24(19-25(27)35)22(6)29(37-28(43)8-2)34(46)42-17-15-41(16-18-42)20(3)4/h7-9,14-16,21,23-25,32-33H,5-6,10-13,17-20,22H2,1-4H3,(H,40,48)(H,41,47)(H,42,49);15-17,20-24,31-32H,8-14,18-19H2,1-7H3,(H,38,47)(H,39,45)(H,40,48);14-16,19-23,29-30H,8-13,17-18H2,1-7H3,(H,36,44)(H,37,43)(H,38,45);13-14,19-23,29-30H,7-12,15-18H2,1-6H3,(H,36,44)(H,37,43)(H,38,45)/t23?,24-,25?,32+,33-;20?,21-,22+,23-,24?,31+,32-;19?,20-,21-,22+,23?,29-,30+;21?,22-,23?,29+,30-/m0010/s1.
What are the key properties of N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?
N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 2714.33 g/mol, XLogP of 16.03, 48 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 159996395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).