N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide

C222H194Cl6FN23O14 — CID 161363910

IUPACN-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(=O)/C=C/c1cc(F)cc(N(Cc2ccc(-c3ccc4c(cnn4C)c3)cc2Cl)C(=O)c2ccccc2)c1.CC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2Cl)C(=O)C2CCCCC2)c1.CC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc4c(cnn4C)c3)cc2Cl)C(=O)c2ccccc2)c1.CC(=O)/C=C/c1cncc(N(Cc2ccc(-c3ccc4c(cnn4C)c3)cc2Cl)C(=O)c2ccccc2)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1)N(C(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1cncc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1Cl)N(C(=O)c1ccccc1)c1cccc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1Cl)N(C(=O)c1ccccc1)c1cncc(/C=C/C(C)=O)c1
InChIInChI=1S/C32H25ClFN3O2.2C32H26ClN3O2.C32H35ClN2O2.C32H32N4O2.2C31H25ClN4O2/c1-21(38)8-9-22-14-28(34)18-29(15-22)37(32(39)23-6-4-3-5-7-23)20-26-11-10-25(17-30(26)33)24-12-13-31-27(16-24)19-35-36(31)2;2*1-22(37)11-12-23-7-6-10-29(17-23)36(32(38)24-8-4-3-5-9-24)21-27-14-13-26(19-30(27)33)25-15-16-31-28(18-25)20-34-35(31)2;1-23(36)12-13-24-8-7-11-30(20-24)35(32(37)26-9-5-4-6-10-26)22-28-15-14-27(21-31(28)33)25-16-18-29(19-17-25)34(2)3;1-21(37)3-4-24-14-29(19-33-17-24)36(32(38)30-15-23-7-10-27(30)13-23)20-22-5-8-25(9-6-22)26-11-12-31-28(16-26)18-34-35(31)2;2*1-21(37)8-9-22-14-28(19-33-17-22)36(31(38)23-6-4-3-5-7-23)20-26-11-10-25(16-29(26)32)24-12-13-30-27(15-24)18-34-35(30)2/h3-19H,20H2,1-2H3;2*3-20H,21H2,1-2H3;7-8,11-21,26H,4-6,9-10,22H2,1-3H3;3-6,8-9,11-12,14,16-19,23,27,30H,7,10,13,15,20H2,1-2H3;2*3-19H,20H2,1-2H3/b9-8+;2*12-11+;13-12+;4-3+;2*9-8+/t;;;;23-,27+,30-;;/m....1../s1/i;21D;;;2*20D;/t;;;;20?,23-,27+,30-;;
InChIKeyVPODEIBGSBTMJA-KCRLIOCQSA-N
MW3642.88 g/mol
LogP49.64
Rot. Bonds50

About N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 161363910) has the molecular formula C222H194Cl6FN23O14 and a molecular weight of 3642.88 g/mol. Its IUPAC name is N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID161363910
Molecular FormulaC222H194Cl6FN23O14
Molecular Weight3642.88 g/mol
Exact Mass3637.35
IUPAC NameN-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(=O)/C=C/c1cc(F)cc(N(Cc2ccc(-c3ccc4c(cnn4C)c3)cc2Cl)C(=O)c2ccccc2)c1.CC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2Cl)C(=O)C2CCCCC2)c1.CC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc4c(cnn4C)c3)cc2Cl)C(=O)c2ccccc2)c1.CC(=O)/C=C/c1cncc(N(Cc2ccc(-c3ccc4c(cnn4C)c3)cc2Cl)C(=O)c2ccccc2)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1)N(C(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1cncc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1Cl)N(C(=O)c1ccccc1)c1cccc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1Cl)N(C(=O)c1ccccc1)c1cncc(/C=C/C(C)=O)c1
InChIInChI=1S/C32H25ClFN3O2.2C32H26ClN3O2.C32H35ClN2O2.C32H32N4O2.2C31H25ClN4O2/c1-21(38)8-9-22-14-28(34)18-29(15-22)37(32(39)23-6-4-3-5-7-23)20-26-11-10-25(17-30(26)33)24-12-13-31-27(16-24)19-35-36(31)2;2*1-22(37)11-12-23-7-6-10-29(17-23)36(32(38)24-8-4-3-5-9-24)21-27-14-13-26(19-30(27)33)25-15-16-31-28(18-25)20-34-35(31)2;1-23(36)12-13-24-8-7-11-30(20-24)35(32(37)26-9-5-4-6-10-26)22-28-15-14-27(21-31(28)33)25-16-18-29(19-17-25)34(2)3;1-21(37)3-4-24-14-29(19-33-17-24)36(32(38)30-15-23-7-10-27(30)13-23)20-22-5-8-25(9-6-22)26-11-12-31-28(16-26)18-34-35(31)2;2*1-21(37)8-9-22-14-28(19-33-17-22)36(31(38)23-6-4-3-5-7-23)20-26-11-10-25(16-29(26)32)24-12-13-30-27(15-24)18-34-35(30)2/h3-19H,20H2,1-2H3;2*3-20H,21H2,1-2H3;7-8,11-21,26H,4-6,9-10,22H2,1-3H3;3-6,8-9,11-12,14,16-19,23,27,30H,7,10,13,15,20H2,1-2H3;2*3-19H,20H2,1-2H3/b9-8+;2*12-11+;13-12+;4-3+;2*9-8+/t;;;;23-,27+,30-;;/m....1../s1/i;21D;;;2*20D;/t;;;;20?,23-,27+,30-;;
InChIKeyVPODEIBGSBTMJA-KCRLIOCQSA-N
XLogP49.64
TPSA410.49 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds50
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003642.88
LogP ≤ 549.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

methane;methyl (E)-3-[3-[benzoyl-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-5-fluorophenyl]prop-2-enoate;methyl (E)-3-[5-[benzoyl-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-3-pyridinyl]prop-2-enoate;methyl (E)-3-[3-[[(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[[(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-5-fluorophenyl]prop-2-enoate;methyl (E)-3-[3-[cyclohexanecarbonyl-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]amino]-5-fluorophenyl]prop-2-enoate
CID 157262001
methyl (E)-3-[3-[[(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]amino]phenyl]prop-2-enoate;methyl (E)-3-[5-[[(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-3-pyridinyl]prop-2-enoate;methyl (E)-3-[3-[[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-(cyclohexanecarbonyl)amino]-5-fluorophenyl]prop-2-enoate;methyl (E)-3-[3-[[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[cyclohexanecarbonyl-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]amino]-5-fluorophenyl]prop-2-enoate
CID 161339129
(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[deuterio-[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 157238055
methyl (E)-3-[3-[[(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[[(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[[(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]amino]-5-fluorophenyl]prop-2-enoate;methyl (E)-3-[3-[[(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-(cyclohexanecarbonyl)amino]-5-fluorophenyl]prop-2-enoate
CID 158758158
N-[[4-(1,2-benzothiazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1S,2S,4R)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2S,4R)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2,3-dimethylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide
CID 161147550
methyl (E)-3-[5-[[(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]amino]-3-pyridinyl]prop-2-enoate
CID 126652866
(E)-3-[5-[benzoyl-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]amino]-3-pyridinyl]prop-2-enoic acid
CID 118367807
(E)-3-[3-[[(1R,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-5-fluorophenyl]prop-2-enoic acid
CID 126643631
methyl (E)-3-[5-[benzoyl-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]amino]-3-pyridinyl]prop-2-enoate
CID 118370854
(E)-3-[3-[benzoyl-[[4-(1-methylindazol-5-yl)phenyl]methyl]amino]-5-fluorophenyl]prop-2-enoic acid
CID 118367934
methyl (E)-3-[3-[[(1R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-5-fluorophenyl]prop-2-enoate
CID 126652917
methyl (E)-3-[3-[[(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]amino]-5-fluorophenyl]prop-2-enoate;methyl (E)-3-[3-[[(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]amino]-5-fluorophenyl]prop-2-enoate;methyl (E)-3-[3-[[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-5-fluorophenyl]prop-2-enoate;methyl (E)-3-[3-[[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-5-fluorophenyl]prop-2-enoate;methyl (E)-3-[3-[[(1R,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-5-fluorophenyl]prop-2-enoate;methyl (E)-3-[3-[[(1R,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-5-fluorophenyl]prop-2-enoate
CID 162243518

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 161363910) is N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(=O)/C=C/c1cc(F)cc(N(Cc2ccc(-c3ccc4c(cnn4C)c3)cc2Cl)C(=O)c2ccccc2)c1.CC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2Cl)C(=O)C2CCCCC2)c1.CC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc4c(cnn4C)c3)cc2Cl)C(=O)c2ccccc2)c1.CC(=O)/C=C/c1cncc(N(Cc2ccc(-c3ccc4c(cnn4C)c3)cc2Cl)C(=O)c2ccccc2)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1)N(C(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1cncc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1Cl)N(C(=O)c1ccccc1)c1cccc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1Cl)N(C(=O)c1ccccc1)c1cncc(/C=C/C(C)=O)c1.
What is the InChIKey of N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VPODEIBGSBTMJA-KCRLIOCQSA-N. The full InChI is InChI=1S/C32H25ClFN3O2.2C32H26ClN3O2.C32H35ClN2O2.C32H32N4O2.2C31H25ClN4O2/c1-21(38)8-9-22-14-28(34)18-29(15-22)37(32(39)23-6-4-3-5-7-23)20-26-11-10-25(17-30(26)33)24-12-13-31-27(16-24)19-35-36(31)2;2*1-22(37)11-12-23-7-6-10-29(17-23)36(32(38)24-8-4-3-5-9-24)21-27-14-13-26(19-30(27)33)25-15-16-31-28(18-25)20-34-35(31)2;1-23(36)12-13-24-8-7-11-30(20-24)35(32(37)26-9-5-4-6-10-26)22-28-15-14-27(21-31(28)33)25-16-18-29(19-17-25)34(2)3;1-21(37)3-4-24-14-29(19-33-17-24)36(32(38)30-15-23-7-10-27(30)13-23)20-22-5-8-25(9-6-22)26-11-12-31-28(16-26)18-34-35(31)2;2*1-21(37)8-9-22-14-28(19-33-17-22)36(31(38)23-6-4-3-5-7-23)20-26-11-10-25(16-29(26)32)24-12-13-30-27(15-24)18-34-35(30)2/h3-19H,20H2,1-2H3;2*3-20H,21H2,1-2H3;7-8,11-21,26H,4-6,9-10,22H2,1-3H3;3-6,8-9,11-12,14,16-19,23,27,30H,7,10,13,15,20H2,1-2H3;2*3-19H,20H2,1-2H3/b9-8+;2*12-11+;13-12+;4-3+;2*9-8+/t;;;;23-,27+,30-;;/m....1../s1/i;21D;;;2*20D;/t;;;;20?,23-,27+,30-;;.
What are the key properties of N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 3642.88 g/mol, XLogP of 49.64, 50 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]benzamide;(1S,2R,4R)-N-[deuterio-[4-(1-methylindazol-5-yl)phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 161363910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).