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

C223H212Cl4F5N21O14 — CID 161338439

IUPACN-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide
SMILESCC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc4c(cnn4C)c3)cc2Cl)C(=O)C2CCN(C)CC2)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1Cl)N(C(=O)C1CCCCC1)c1cccc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1Cl)N(C(=O)C1CCCCC1)c1cncc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1F)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)c1cc(F)cc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1F)N(C(=O)c1ccccc1)c1cc(F)cc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1F)N(C(=O)c1ccccc1)c1cccc(/C=C/C(C)=O)c1
InChIInChI=1S/C32H25ClFN3O2.C32H33ClN4O2.C32H35ClN2O2.C32H25F2N3O2.C32H34FN3O2.C32H26FN3O2.C31H34ClN3O2/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;1-22(38)7-8-23-5-4-6-29(17-23)37(32(39)24-13-15-35(2)16-14-24)21-27-10-9-26(19-30(27)33)25-11-12-31-28(18-25)20-34-36(31)3;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(38)8-9-22-14-28(33)18-29(15-22)37(32(39)23-6-4-3-5-7-23)20-26-11-10-25(17-30(26)34)24-12-13-31-27(16-24)19-35-36(31)2;1-21(37)4-5-23-15-29(19-34-18-23)36(32(38)30-16-22-6-7-26(30)14-22)20-27-9-8-25(17-31(27)33)24-10-12-28(13-11-24)35(2)3;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;1-22(36)9-10-23-17-29(20-33-19-23)35(31(37)25-7-5-4-6-8-25)21-27-12-11-26(18-30(27)32)24-13-15-28(16-14-24)34(2)3/h3-19H,20H2,1-2H3;4-12,17-20,24H,13-16,21H2,1-3H3;7-8,11-21,26H,4-6,9-10,22H2,1-3H3;3-19H,20H2,1-2H3;4-5,8-13,15,17-19,22,26,30H,6-7,14,16,20H2,1-3H3;3-20H,21H2,1-2H3;9-20,25H,4-8,21H2,1-3H3/b9-8+;8-7+;13-12+;9-8+;5-4+;12-11+;10-9+/t;;;;22-,26+,30-;;/m....1../s1/i20D;;22D;2*20D;2*21D/t;;;;20?,22-,26+,30-;;
InChIKeyVMISTZJODWZYJA-SPAPGTQCSA-N
MW3653.12 g/mol
LogP49.15
Rot. Bonds52

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

N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide (PubChem CID 161338439) has the molecular formula C223H212Cl4F5N21O14 and a molecular weight of 3653.12 g/mol. Its IUPAC name is N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide
PubChem CID161338439
Molecular FormulaC223H212Cl4F5N21O14
Molecular Weight3653.12 g/mol
Exact Mass3648.56
IUPAC NameN-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide
SMILESCC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc4c(cnn4C)c3)cc2Cl)C(=O)C2CCN(C)CC2)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1Cl)N(C(=O)C1CCCCC1)c1cccc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1Cl)N(C(=O)C1CCCCC1)c1cncc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1F)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)c1cc(F)cc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1F)N(C(=O)c1ccccc1)c1cc(F)cc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1F)N(C(=O)c1ccccc1)c1cccc(/C=C/C(C)=O)c1
InChIInChI=1S/C32H25ClFN3O2.C32H33ClN4O2.C32H35ClN2O2.C32H25F2N3O2.C32H34FN3O2.C32H26FN3O2.C31H34ClN3O2/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;1-22(38)7-8-23-5-4-6-29(17-23)37(32(39)24-13-15-35(2)16-14-24)21-27-10-9-26(19-30(27)33)25-11-12-31-28(18-25)20-34-36(31)3;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(38)8-9-22-14-28(33)18-29(15-22)37(32(39)23-6-4-3-5-7-23)20-26-11-10-25(17-30(26)34)24-12-13-31-27(16-24)19-35-36(31)2;1-21(37)4-5-23-15-29(19-34-18-23)36(32(38)30-16-22-6-7-26(30)14-22)20-27-9-8-25(17-31(27)33)24-10-12-28(13-11-24)35(2)3;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;1-22(36)9-10-23-17-29(20-33-19-23)35(31(37)25-7-5-4-6-8-25)21-27-12-11-26(18-30(27)32)24-13-15-28(16-14-24)34(2)3/h3-19H,20H2,1-2H3;4-12,17-20,24H,13-16,21H2,1-3H3;7-8,11-21,26H,4-6,9-10,22H2,1-3H3;3-19H,20H2,1-2H3;4-5,8-13,15,17-19,22,26,30H,6-7,14,16,20H2,1-3H3;3-20H,21H2,1-2H3;9-20,25H,4-8,21H2,1-3H3/b9-8+;8-7+;13-12+;9-8+;5-4+;12-11+;10-9+/t;;;;22-,26+,30-;;/m....1../s1/i20D;;22D;2*20D;2*21D/t;;;;20?,22-,26+,30-;;
InChIKeyVMISTZJODWZYJA-SPAPGTQCSA-N
XLogP49.15
TPSA371.68 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds52
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003653.12
LogP ≤ 549.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one
CID 158085200
5-[2-[(2R)-5-(3-acetyl-7-ethylindol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(2R)-5-(3-chlorophenyl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 158424225
5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methyl-1-oxo-3H-isoindol-5-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 158486453
(7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-fluoro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158740381
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159328477
8-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;6,7-difluoro-1-[1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;[4-(6,7-difluoro-5-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;8-[1-[2,4-difluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[2,4-difluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one
CID 159349333
N-[[4-chloro-3-[2-[2-(4-chlorophenyl)indazol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
CID 159397430
2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]ethyl]acetamide
CID 160131473
5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160444407
[2,4-Dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
CID 160545730
5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide
CID 161458785
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylindazol-2-yl)pentan-2-one;3-[2-[(1S)-1-[[2-[6-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 161818785

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide?
The IUPAC name of N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide (CID 161338439) is N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide.
What is the SMILES notation for N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide?
The canonical SMILES for N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide is CC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc4c(cnn4C)c3)cc2Cl)C(=O)C2CCN(C)CC2)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1Cl)N(C(=O)C1CCCCC1)c1cccc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1Cl)N(C(=O)C1CCCCC1)c1cncc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1F)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)c1cc(F)cc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1F)N(C(=O)c1ccccc1)c1cc(F)cc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(cnn3C)c2)cc1F)N(C(=O)c1ccccc1)c1cccc(/C=C/C(C)=O)c1.
What is the InChIKey of N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide?
The InChIKey is VMISTZJODWZYJA-SPAPGTQCSA-N. The full InChI is InChI=1S/C32H25ClFN3O2.C32H33ClN4O2.C32H35ClN2O2.C32H25F2N3O2.C32H34FN3O2.C32H26FN3O2.C31H34ClN3O2/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;1-22(38)7-8-23-5-4-6-29(17-23)37(32(39)24-13-15-35(2)16-14-24)21-27-10-9-26(19-30(27)33)25-11-12-31-28(18-25)20-34-36(31)3;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(38)8-9-22-14-28(33)18-29(15-22)37(32(39)23-6-4-3-5-7-23)20-26-11-10-25(17-30(26)34)24-12-13-31-27(16-24)19-35-36(31)2;1-21(37)4-5-23-15-29(19-34-18-23)36(32(38)30-16-22-6-7-26(30)14-22)20-27-9-8-25(17-31(27)33)24-10-12-28(13-11-24)35(2)3;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;1-22(36)9-10-23-17-29(20-33-19-23)35(31(37)25-7-5-4-6-8-25)21-27-12-11-26(18-30(27)32)24-13-15-28(16-14-24)34(2)3/h3-19H,20H2,1-2H3;4-12,17-20,24H,13-16,21H2,1-3H3;7-8,11-21,26H,4-6,9-10,22H2,1-3H3;3-19H,20H2,1-2H3;4-5,8-13,15,17-19,22,26,30H,6-7,14,16,20H2,1-3H3;3-20H,21H2,1-2H3;9-20,25H,4-8,21H2,1-3H3/b9-8+;8-7+;13-12+;9-8+;5-4+;12-11+;10-9+/t;;;;22-,26+,30-;;/m....1../s1/i20D;;22D;2*20D;2*21D/t;;;;20?,22-,26+,30-;;.
What are the key properties of N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide?
N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide has a molecular weight of 3653.12 g/mol, XLogP of 49.15, 52 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]methyl]-1-methyl-N-[3-[(E)-3-oxobut-1-enyl]phenyl]piperidine-4-carboxamide;(1S,2R,4R)-N-[deuterio-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide is sourced from PubChem (CID 161338439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).