bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide

C337H482F22N70O45 — CID 167682995

About bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide

bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide (PubChem CID 167682995) has the molecular formula C337H482F22N70O45 and a molecular weight of 6651.96 g/mol. Its IUPAC name is bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide
• PubChem CID: 167682995
• Molecular Formula: C337H482F22N70O45
• Molecular Weight: 6651.96 g/mol
• Exact Mass: 6647.72
• IUPAC Name: bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide
• SMILES: CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(NC(=O)c2ccnn2CC)C(C)C2CCC(F)(F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(NC(=O)c2ccnn2CC)C(C)C2CCC(F)(F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(NC(=O)c2nonc2CC)C(C)C2CCC(F)(F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(NC(=O)c2nonc2CC)C(C)C2CCC(F)(F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)[C@H](C)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)[C@H](C)C2CCC(C)CC2)c(F)c1.CCc1nonc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(C)F)C(=O)N2CCN(C)[C@@H](C)C2)cc1F)C1CCC(C)CC1.CCc1nonc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(C)F)C(=O)N2CCN(C)[C@@H](C)C2)cc1F)C1CCC(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(C)F)C(=O)N2CCN(C)[C@@H](C)C2)cc1F)C1CCC(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(C)F)C(=O)N2CCN(C)[C@@H](C)C2)cc1F)C1CCC(C)CC1
• InChI: InChI=1S/C35H52FN7O4.2C34H48F3N7O4.2C34H49F2N7O4.C34H50FN7O5.2C33H46F3N7O5.2C33H47F2N7O5/c1-7-30(44)39-32(35(47)42-19-17-41(6)18-20-42)24(5)26-13-14-28(27(36)21-26)38-34(46)31(23(4)25-11-9-22(3)10-12-25)40-33(45)29-15-16-37-43(29)8-2;2*1-6-28(45)40-30(33(48)43-18-16-42(5)17-19-43)22(4)24-8-9-26(25(35)20-24)39-32(47)29(21(3)23-10-13-34(36,37)14-11-23)41-31(46)27-12-15-38-44(27)7-2;2*1-7-43-28(14-15-37-43)32(45)40-30(24-10-8-20(2)9-11-24)33(46)38-27-13-12-25(18-26(27)36)22(4)29(39-31(44)23(5)35)34(47)42-17-16-41(6)21(3)19-42;1-7-26-31(40-47-39-26)33(45)38-29(21(4)23-11-9-20(3)10-12-23)32(44)36-27-14-13-24(19-25(27)35)22(5)30(37-28(43)8-2)34(46)42-17-15-41(6)16-18-42;2*1-6-24-29(41-48-40-24)31(46)39-27(19(3)21-10-12-33(35,36)13-11-21)30(45)37-25-9-8-22(18-23(25)34)20(4)28(38-26(44)7-2)32(47)43-16-14-42(5)15-17-43;2*1-7-25-29(40-47-39-25)32(45)38-28(22-10-8-18(2)9-11-22)31(44)36-26-13-12-23(16-24(26)35)20(4)27(37-30(43)21(5)34)33(46)42-15-14-41(6)19(3)17-42/h13-16,21-25,31-32H,7-12,17-20H2,1-6H3,(H,38,46)(H,39,44)(H,40,45);2*8-9,12,15,20-23,29-30H,6-7,10-11,13-14,16-19H2,1-5H3,(H,39,47)(H,40,45)(H,41,46);2*12-15,18,20-24,29-30H,7-11,16-17,19H2,1-6H3,(H,38,46)(H,39,44)(H,40,45);13-14,19-23,29-30H,7-12,15-18H2,1-6H3,(H,36,44)(H,37,43)(H,38,45);2*8-9,18-21,27-28H,6-7,10-17H2,1-5H3,(H,37,45)(H,38,44)(H,39,46);2*12-13,16,18-22,27-28H,7-11,14-15,17H2,1-6H3,(H,36,44)(H,37,43)(H,38,45)/t22?,23-,24+,25?,31+,32-;2*21?,22-,29?,30+;2*20?,21-,22-,23?,24?,29?,30-;20?,21-,22+,23?,29+,30-;2*19?,20-,27?,28+;2*18?,19-,20-,21?,22?,27?,28-/m1000010000/s1
• InChIKey: VUQBNFIMSAZOHO-VNPIZAHISA-N
• XLogP: 37.58
• TPSA: 1392.20 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 75
• Rotatable Bonds: 116
• Heavy Atoms: 474
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	6651.96
LogP ≤ 5	37.58
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	75

Frequently Asked Questions

What is the IUPAC name of bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide?

The IUPAC name of bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide (CID 167682995) is bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide.

What is the SMILES notation for bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide?

The canonical SMILES for bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide is CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(NC(=O)c2ccnn2CC)C(C)C2CCC(F)(F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(NC(=O)c2ccnn2CC)C(C)C2CCC(F)(F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(NC(=O)c2nonc2CC)C(C)C2CCC(F)(F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(NC(=O)c2nonc2CC)C(C)C2CCC(F)(F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)[C@H](C)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2nonc2CC)[C@H](C)C2CCC(C)CC2)c(F)c1.CCc1nonc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(C)F)C(=O)N2CCN(C)[C@@H](C)C2)cc1F)C1CCC(C)CC1.CCc1nonc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(C)F)C(=O)N2CCN(C)[C@@H](C)C2)cc1F)C1CCC(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(C)F)C(=O)N2CCN(C)[C@@H](C)C2)cc1F)C1CCC(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(C)F)C(=O)N2CCN(C)[C@@H](C)C2)cc1F)C1CCC(C)CC1.

What is the InChIKey of bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide?

The InChIKey is VUQBNFIMSAZOHO-VNPIZAHISA-N. The full InChI is InChI=1S/C35H52FN7O4.2C34H48F3N7O4.2C34H49F2N7O4.C34H50FN7O5.2C33H46F3N7O5.2C33H47F2N7O5/c1-7-30(44)39-32(35(47)42-19-17-41(6)18-20-42)24(5)26-13-14-28(27(36)21-26)38-34(46)31(23(4)25-11-9-22(3)10-12-25)40-33(45)29-15-16-37-43(29)8-2;2*1-6-28(45)40-30(33(48)43-18-16-42(5)17-19-43)22(4)24-8-9-26(25(35)20-24)39-32(47)29(21(3)23-10-13-34(36,37)14-11-23)41-31(46)27-12-15-38-44(27)7-2;2*1-7-43-28(14-15-37-43)32(45)40-30(24-10-8-20(2)9-11-24)33(46)38-27-13-12-25(18-26(27)36)22(4)29(39-31(44)23(5)35)34(47)42-17-16-41(6)21(3)19-42;1-7-26-31(40-47-39-26)33(45)38-29(21(4)23-11-9-20(3)10-12-23)32(44)36-27-14-13-24(19-25(27)35)22(5)30(37-28(43)8-2)34(46)42-17-15-41(6)16-18-42;2*1-6-24-29(41-48-40-24)31(46)39-27(19(3)21-10-12-33(35,36)13-11-21)30(45)37-25-9-8-22(18-23(25)34)20(4)28(38-26(44)7-2)32(47)43-16-14-42(5)15-17-43;2*1-7-25-29(40-47-39-25)32(45)38-28(22-10-8-18(2)9-11-22)31(44)36-26-13-12-23(16-24(26)35)20(4)27(37-30(43)21(5)34)33(46)42-15-14-41(6)19(3)17-42/h13-16,21-25,31-32H,7-12,17-20H2,1-6H3,(H,38,46)(H,39,44)(H,40,45);2*8-9,12,15,20-23,29-30H,6-7,10-11,13-14,16-19H2,1-5H3,(H,39,47)(H,40,45)(H,41,46);2*12-15,18,20-24,29-30H,7-11,16-17,19H2,1-6H3,(H,38,46)(H,39,44)(H,40,45);13-14,19-23,29-30H,7-12,15-18H2,1-6H3,(H,36,44)(H,37,43)(H,38,45);2*8-9,18-21,27-28H,6-7,10-17H2,1-5H3,(H,37,45)(H,38,44)(H,39,46);2*12-13,16,18-22,27-28H,7-11,14-15,17H2,1-6H3,(H,36,44)(H,37,43)(H,38,45)/t22?,23-,24+,25?,31+,32-;2*21?,22-,29?,30+;2*20?,21-,22-,23?,24?,29?,30-;20?,21-,22+,23?,29+,30-;2*19?,20-,27?,28+;2*18?,19-,20-,21?,22?,27?,28-/m1000010000/s1.

What are the key properties of bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide?

bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide has a molecular weight of 6651.96 g/mol, XLogP of 37.58, 116 rotatable bonds, 30 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[3-(4,4-difluorocyclohexyl)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[3-(4,4-difluorocyclohexyl)-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);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);4-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;2-ethyl-N-[(2S,3R)-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 167682995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).