bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide)

C276H392F16N56O36 — CID 167612462

IUPACbis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide)
SMILESCCc1nonc1C(=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.CCc1nonc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(F)C2CC2)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(F)C2CC2)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.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(F)C2CC2)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(F)C2CC2)C(=O)N2CCN(C)[C@H](C)C2)cc1F)C1CCC(C)CC1
InChIInChI=1S/2C36H51F2N7O4.2C35H49F2N7O5.2C34H49F2N7O4.2C33H47F2N7O5/c2*1-6-45-29(15-16-39-45)33(46)42-32(25-9-7-21(2)8-10-25)35(48)40-28-14-13-26(19-27(28)37)23(4)31(41-34(47)30(38)24-11-12-24)36(49)44-18-17-43(5)22(3)20-44;2*1-6-26-31(42-49-41-26)34(47)40-30(23-9-7-19(2)8-10-23)33(46)38-27-14-13-24(17-25(27)36)21(4)29(39-32(45)28(37)22-11-12-22)35(48)44-16-15-43(5)20(3)18-44;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;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/h2*13-16,19,21-25,30-32H,6-12,17-18,20H2,1-5H3,(H,40,48)(H,41,47)(H,42,46);2*13-14,17,19-23,28-30H,6-12,15-16,18H2,1-5H3,(H,38,46)(H,39,45)(H,40,47);2*12-15,18,20-24,29-30H,7-11,16-17,19H2,1-6H3,(H,38,46)(H,39,44)(H,40,45);2*12-13,16,18-22,27-28H,7-11,14-15,17H2,1-6H3,(H,36,44)(H,37,43)(H,38,45)/t2*21?,22-,23+,25?,30?,31?,32+;2*19?,20-,21+,23?,28?,29?,30+;2*20?,21-,22+,23?,24?,29?,30+;2*18?,19-,20+,21?,22?,27?,28+/m11111111/s1
InChIKeyLGGOCVZSCRGQCZ-LBZIBOQJSA-N
MW5374.50 g/mol
LogP30.19
Rot. Bonds92

About bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide)

bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide) (PubChem CID 167612462) has the molecular formula C276H392F16N56O36 and a molecular weight of 5374.50 g/mol. Its IUPAC name is bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide).

Molecular Properties

Compound Namebis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide)
PubChem CID167612462
Molecular FormulaC276H392F16N56O36
Molecular Weight5374.50 g/mol
Exact Mass5371.03
IUPAC Namebis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide)
SMILESCCc1nonc1C(=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.CCc1nonc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(F)C2CC2)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(F)C2CC2)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.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(F)C2CC2)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(F)C2CC2)C(=O)N2CCN(C)[C@H](C)C2)cc1F)C1CCC(C)CC1
InChIInChI=1S/2C36H51F2N7O4.2C35H49F2N7O5.2C34H49F2N7O4.2C33H47F2N7O5/c2*1-6-45-29(15-16-39-45)33(46)42-32(25-9-7-21(2)8-10-25)35(48)40-28-14-13-26(19-27(28)37)23(4)31(41-34(47)30(38)24-11-12-24)36(49)44-18-17-43(5)22(3)20-44;2*1-6-26-31(42-49-41-26)34(47)40-30(23-9-7-19(2)8-10-23)33(46)38-27-14-13-24(17-25(27)36)21(4)29(39-32(45)28(37)22-11-12-22)35(48)44-16-15-43(5)20(3)18-44;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;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/h2*13-16,19,21-25,30-32H,6-12,17-18,20H2,1-5H3,(H,40,48)(H,41,47)(H,42,46);2*13-14,17,19-23,28-30H,6-12,15-16,18H2,1-5H3,(H,38,46)(H,39,45)(H,40,47);2*12-15,18,20-24,29-30H,7-11,16-17,19H2,1-6H3,(H,38,46)(H,39,44)(H,40,45);2*12-13,16,18-22,27-28H,7-11,14-15,17H2,1-6H3,(H,36,44)(H,37,43)(H,38,45)/t2*21?,22-,23+,25?,30?,31?,32+;2*19?,20-,21+,23?,28?,29?,30+;2*20?,21-,22+,23?,24?,29?,30+;2*18?,19-,20+,21?,22?,27?,28+/m11111111/s1
InChIKeyLGGOCVZSCRGQCZ-LBZIBOQJSA-N
XLogP30.19
TPSA1113.76 Ų
H-Bond Donors24
H-Bond Acceptors60
Rotatable Bonds92
Heavy Atoms384
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005374.50
LogP ≤ 530.19
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1060

Analyze bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide) with MolForge

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Related Compounds

4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(2-methylpyrazole-3-carbonyl)amino]-4-oxobutan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
CID 156188963
N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 156189022
3-cyclopropyl-1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-5-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;1,3-dimethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide;1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide;6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-1-propan-2-ylpyrazole-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 158564584
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-acetyl-2-methylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(5,6-dimethylindazol-1-yl)acetamide;5-[2-[(1S)-1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159847132
cyclopropyl N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]carbamate;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]-2-ethylpyrazole-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]-2-ethylpyrazole-3-carboxamide;methyl N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]carbamate
CID 159849359
2-(3-acetyl-2-methylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylindazol-1-yl)pentan-2-one;5-[2-[(1S)-1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 161113427
5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 161972494
CID 162194200
CID 162194200
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

Frequently Asked Questions

What is the IUPAC name of bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide)?
The IUPAC name of bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide) (CID 167612462) is bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide).
What is the SMILES notation for bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide)?
The canonical SMILES for bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide) is 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.CCc1nonc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(F)C2CC2)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(F)C2CC2)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.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(NC(=O)C(F)C2CC2)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(F)C2CC2)C(=O)N2CCN(C)[C@H](C)C2)cc1F)C1CCC(C)CC1.
What is the InChIKey of bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide)?
The InChIKey is LGGOCVZSCRGQCZ-LBZIBOQJSA-N. The full InChI is InChI=1S/2C36H51F2N7O4.2C35H49F2N7O5.2C34H49F2N7O4.2C33H47F2N7O5/c2*1-6-45-29(15-16-39-45)33(46)42-32(25-9-7-21(2)8-10-25)35(48)40-28-14-13-26(19-27(28)37)23(4)31(41-34(47)30(38)24-11-12-24)36(49)44-18-17-43(5)22(3)20-44;2*1-6-26-31(42-49-41-26)34(47)40-30(23-9-7-19(2)8-10-23)33(46)38-27-14-13-24(17-25(27)36)21(4)29(39-32(45)28(37)22-11-12-22)35(48)44-16-15-43(5)20(3)18-44;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;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/h2*13-16,19,21-25,30-32H,6-12,17-18,20H2,1-5H3,(H,40,48)(H,41,47)(H,42,46);2*13-14,17,19-23,28-30H,6-12,15-16,18H2,1-5H3,(H,38,46)(H,39,45)(H,40,47);2*12-15,18,20-24,29-30H,7-11,16-17,19H2,1-6H3,(H,38,46)(H,39,44)(H,40,45);2*12-13,16,18-22,27-28H,7-11,14-15,17H2,1-6H3,(H,36,44)(H,37,43)(H,38,45)/t2*21?,22-,23+,25?,30?,31?,32+;2*19?,20-,21+,23?,28?,29?,30+;2*20?,21-,22+,23?,24?,29?,30+;2*18?,19-,20+,21?,22?,27?,28+/m11111111/s1.
What are the key properties of bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide)?
bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide) has a molecular weight of 5374.50 g/mol, XLogP of 30.19, 92 rotatable bonds, 24 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)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);bis(N-[(1S)-2-[4-[(2S)-3-[(2-cyclopropyl-2-fluoroacetyl)amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide);bis(N-[(1S)-2-[4-[(2S)-4-[(3R)-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-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-fluoropropanoylamino)-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide) is sourced from PubChem (CID 167612462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).