N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide

C374H379Cl12F7N72O15 — CID 161170972

IUPACN-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide
SMILESCC(=O)C(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@@H]2C[C@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC(F)(F)C2)cc1.Cc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3cc(-c4c[nH]c5ccccc45)c(Cl)cn3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)c(F)c1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)c(N2CCOCC2)c1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cn(C)c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4n[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(F)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3nccc(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(CN(C)[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc([C@@H](N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)C(F)(F)F)cc1.Cc1cccc(C(=O)CC2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)c1
InChIInChI=1S/C30H33ClN6O2.C28H27ClN6O3.C27H27ClF3N5.2C27H28ClN5O.C27H30ClN5.2C27H27ClN4O.C26H24ClF2N5O.C26H25ClFN5O.C26H26FN5O.C26H27N5O.2C25H25ClN6O/c1-19-9-10-23(27(15-19)37-11-13-39-14-12-37)29(38)34-20-5-4-6-21(16-20)35-30-33-18-25(31)28(36-30)24-17-32-26-8-3-2-7-22(24)26;1-16(36)26(37)32-18-11-9-17(10-12-18)27(38)33-19-5-4-6-20(13-19)34-28-31-15-23(29)25(35-28)22-14-30-24-8-3-2-7-21(22)24;1-16-9-11-17(12-10-16)25(27(29,30)31)34-18-5-4-6-19(13-18)35-26-33-15-22(28)24(36-26)21-14-32-23-8-3-2-7-20(21)23;1-17-10-12-18(13-11-17)26(34)30-19-6-5-7-20(14-19)31-27-29-15-23(28)25(32-27)22-16-33(2)24-9-4-3-8-21(22)24;1-17-9-11-18(12-10-17)25(34)33-27(2)13-5-6-19(14-27)31-26-30-16-22(28)24(32-26)21-15-29-23-8-4-3-7-20(21)23;1-18-10-12-19(13-11-18)17-33(2)21-7-5-6-20(14-21)31-27-30-16-24(28)26(32-27)23-15-29-25-9-4-3-8-22(23)25;1-17-9-11-18(12-10-17)27(33)32-20-6-4-5-19(13-20)31-26-14-22(24(28)16-30-26)23-15-29-25-8-3-2-7-21(23)25;1-17-5-4-6-19(13-17)25(33)14-18-9-11-20(12-10-18)31-27-30-16-23(28)26(32-27)22-15-29-24-8-3-2-7-21(22)24;1-15-6-8-16(9-7-15)24(35)32-17-10-18(12-26(28,29)11-17)33-25-31-14-21(27)23(34-25)20-13-30-22-5-3-2-4-19(20)22;1-15-9-10-19(22(28)11-15)25(34)31-16-5-4-6-17(12-16)32-26-30-14-21(27)24(33-26)20-13-29-23-8-3-2-7-18(20)23;1-16-9-11-17(12-10-16)25(33)30-18-5-4-6-19(13-18)31-26-29-15-22(27)24(32-26)21-14-28-23-8-3-2-7-20(21)23;1-17-9-11-18(12-10-17)25(32)29-19-5-4-6-20(15-19)30-26-27-14-13-24(31-26)22-16-28-23-8-3-2-7-21(22)23;1-16-8-10-17(11-9-16)24(33)29-18-5-4-6-19(13-18)30-25-27-15-21(26)23(31-25)20-14-28-32-12-3-2-7-22(20)32;1-15-9-11-16(12-10-15)24(33)28-17-5-4-6-18(13-17)29-25-27-14-20(26)23(30-25)22-19-7-2-3-8-21(19)31-32-22/h2-3,7-10,15,17-18,20-21,32H,4-6,11-14,16H2,1H3,(H,34,38)(H,33,35,36);2-3,7-12,14-15,19-20,30H,4-6,13H2,1H3,(H,32,37)(H,33,38)(H,31,34,35);2-3,7-12,14-15,18-19,25,32,34H,4-6,13H2,1H3,(H,33,35,36);3-4,8-13,15-16,19-20H,5-7,14H2,1-2H3,(H,30,34)(H,29,31,32);3-4,7-12,15-16,19,29H,5-6,13-14H2,1-2H3,(H,33,34)(H,30,31,32);3-4,8-13,15-16,20-21,29H,5-7,14,17H2,1-2H3,(H,30,31,32);2-3,7-12,14-16,19-20,29H,4-6,13H2,1H3,(H,30,31)(H,32,33);2-8,13,15-16,18,20,29H,9-12,14H2,1H3,(H,30,31,32);2-9,13-14,17-18,30H,10-12H2,1H3,(H,32,35)(H,31,33,34);2-3,7-11,13-14,16-17,29H,4-6,12H2,1H3,(H,31,34)(H,30,32,33);2-3,7-12,14-15,18-19,28H,4-6,13H2,1H3,(H,30,33)(H,29,31,32);2-3,7-14,16,19-20,28H,4-6,15H2,1H3,(H,29,32)(H,27,30,31);2-3,7-12,14-15,18-19H,4-6,13H2,1H3,(H,29,33)(H,27,30,31);2-3,7-12,14,17-18H,4-6,13H2,1H3,(H,28,33)(H,31,32)(H,27,29,30)/t20-,21+;19-,20+;18-,19+,25+;19-,20+;19-,27+;20-,21+;19-,20+;;17-,18+;16-,17+;18-,19+;19-,20+;18-,19+;17-,18+/m0000111.100000/s1
InChIKeyUREBUUDBNYROJB-JECSLPODSA-N
MW6681.06 g/mol
LogP81.45
Rot. Bonds76

About N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide

N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide (PubChem CID 161170972) has the molecular formula C374H379Cl12F7N72O15 and a molecular weight of 6681.06 g/mol. Its IUPAC name is N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide
PubChem CID161170972
Molecular FormulaC374H379Cl12F7N72O15
Molecular Weight6681.06 g/mol
Exact Mass6670.73
IUPAC NameN-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide
SMILESCC(=O)C(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@@H]2C[C@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC(F)(F)C2)cc1.Cc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3cc(-c4c[nH]c5ccccc45)c(Cl)cn3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)c(F)c1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)c(N2CCOCC2)c1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cn(C)c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4n[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(F)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3nccc(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(CN(C)[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc([C@@H](N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)C(F)(F)F)cc1.Cc1cccc(C(=O)CC2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)c1
InChIInChI=1S/C30H33ClN6O2.C28H27ClN6O3.C27H27ClF3N5.2C27H28ClN5O.C27H30ClN5.2C27H27ClN4O.C26H24ClF2N5O.C26H25ClFN5O.C26H26FN5O.C26H27N5O.2C25H25ClN6O/c1-19-9-10-23(27(15-19)37-11-13-39-14-12-37)29(38)34-20-5-4-6-21(16-20)35-30-33-18-25(31)28(36-30)24-17-32-26-8-3-2-7-22(24)26;1-16(36)26(37)32-18-11-9-17(10-12-18)27(38)33-19-5-4-6-20(13-19)34-28-31-15-23(29)25(35-28)22-14-30-24-8-3-2-7-21(22)24;1-16-9-11-17(12-10-16)25(27(29,30)31)34-18-5-4-6-19(13-18)35-26-33-15-22(28)24(36-26)21-14-32-23-8-3-2-7-20(21)23;1-17-10-12-18(13-11-17)26(34)30-19-6-5-7-20(14-19)31-27-29-15-23(28)25(32-27)22-16-33(2)24-9-4-3-8-21(22)24;1-17-9-11-18(12-10-17)25(34)33-27(2)13-5-6-19(14-27)31-26-30-16-22(28)24(32-26)21-15-29-23-8-4-3-7-20(21)23;1-18-10-12-19(13-11-18)17-33(2)21-7-5-6-20(14-21)31-27-30-16-24(28)26(32-27)23-15-29-25-9-4-3-8-22(23)25;1-17-9-11-18(12-10-17)27(33)32-20-6-4-5-19(13-20)31-26-14-22(24(28)16-30-26)23-15-29-25-8-3-2-7-21(23)25;1-17-5-4-6-19(13-17)25(33)14-18-9-11-20(12-10-18)31-27-30-16-23(28)26(32-27)22-15-29-24-8-3-2-7-21(22)24;1-15-6-8-16(9-7-15)24(35)32-17-10-18(12-26(28,29)11-17)33-25-31-14-21(27)23(34-25)20-13-30-22-5-3-2-4-19(20)22;1-15-9-10-19(22(28)11-15)25(34)31-16-5-4-6-17(12-16)32-26-30-14-21(27)24(33-26)20-13-29-23-8-3-2-7-18(20)23;1-16-9-11-17(12-10-16)25(33)30-18-5-4-6-19(13-18)31-26-29-15-22(27)24(32-26)21-14-28-23-8-3-2-7-20(21)23;1-17-9-11-18(12-10-17)25(32)29-19-5-4-6-20(15-19)30-26-27-14-13-24(31-26)22-16-28-23-8-3-2-7-21(22)23;1-16-8-10-17(11-9-16)24(33)29-18-5-4-6-19(13-18)30-25-27-15-21(26)23(31-25)20-14-28-32-12-3-2-7-22(20)32;1-15-9-11-16(12-10-15)24(33)28-17-5-4-6-18(13-17)29-25-27-14-20(26)23(30-25)22-19-7-2-3-8-21(19)31-32-22/h2-3,7-10,15,17-18,20-21,32H,4-6,11-14,16H2,1H3,(H,34,38)(H,33,35,36);2-3,7-12,14-15,19-20,30H,4-6,13H2,1H3,(H,32,37)(H,33,38)(H,31,34,35);2-3,7-12,14-15,18-19,25,32,34H,4-6,13H2,1H3,(H,33,35,36);3-4,8-13,15-16,19-20H,5-7,14H2,1-2H3,(H,30,34)(H,29,31,32);3-4,7-12,15-16,19,29H,5-6,13-14H2,1-2H3,(H,33,34)(H,30,31,32);3-4,8-13,15-16,20-21,29H,5-7,14,17H2,1-2H3,(H,30,31,32);2-3,7-12,14-16,19-20,29H,4-6,13H2,1H3,(H,30,31)(H,32,33);2-8,13,15-16,18,20,29H,9-12,14H2,1H3,(H,30,31,32);2-9,13-14,17-18,30H,10-12H2,1H3,(H,32,35)(H,31,33,34);2-3,7-11,13-14,16-17,29H,4-6,12H2,1H3,(H,31,34)(H,30,32,33);2-3,7-12,14-15,18-19,28H,4-6,13H2,1H3,(H,30,33)(H,29,31,32);2-3,7-14,16,19-20,28H,4-6,15H2,1H3,(H,29,32)(H,27,30,31);2-3,7-12,14-15,18-19H,4-6,13H2,1H3,(H,29,33)(H,27,30,31);2-3,7-12,14,17-18H,4-6,13H2,1H3,(H,28,33)(H,31,32)(H,27,29,30)/t20-,21+;19-,20+;18-,19+,25+;19-,20+;19-,27+;20-,21+;19-,20+;;17-,18+;16-,17+;18-,19+;19-,20+;18-,19+;17-,18+/m0000111.100000/s1
InChIKeyUREBUUDBNYROJB-JECSLPODSA-N
XLogP81.45
TPSA1152.13 Ų
H-Bond Donors39
H-Bond Acceptors63
Rotatable Bonds76
Heavy Atoms480
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006681.06
LogP ≤ 581.45
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 1063

Analyze N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide?
The IUPAC name of N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide (CID 161170972) is N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide?
The canonical SMILES for N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide is CC(=O)C(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@@H]2C[C@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC(F)(F)C2)cc1.Cc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3cc(-c4c[nH]c5ccccc45)c(Cl)cn3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)c(F)c1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)c(N2CCOCC2)c1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cn(C)c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4n[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(F)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3nccc(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc(CN(C)[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Cc1ccc([C@@H](N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)C(F)(F)F)cc1.Cc1cccc(C(=O)CC2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)c1.
What is the InChIKey of N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide?
The InChIKey is UREBUUDBNYROJB-JECSLPODSA-N. The full InChI is InChI=1S/C30H33ClN6O2.C28H27ClN6O3.C27H27ClF3N5.2C27H28ClN5O.C27H30ClN5.2C27H27ClN4O.C26H24ClF2N5O.C26H25ClFN5O.C26H26FN5O.C26H27N5O.2C25H25ClN6O/c1-19-9-10-23(27(15-19)37-11-13-39-14-12-37)29(38)34-20-5-4-6-21(16-20)35-30-33-18-25(31)28(36-30)24-17-32-26-8-3-2-7-22(24)26;1-16(36)26(37)32-18-11-9-17(10-12-18)27(38)33-19-5-4-6-20(13-19)34-28-31-15-23(29)25(35-28)22-14-30-24-8-3-2-7-21(22)24;1-16-9-11-17(12-10-16)25(27(29,30)31)34-18-5-4-6-19(13-18)35-26-33-15-22(28)24(36-26)21-14-32-23-8-3-2-7-20(21)23;1-17-10-12-18(13-11-17)26(34)30-19-6-5-7-20(14-19)31-27-29-15-23(28)25(32-27)22-16-33(2)24-9-4-3-8-21(22)24;1-17-9-11-18(12-10-17)25(34)33-27(2)13-5-6-19(14-27)31-26-30-16-22(28)24(32-26)21-15-29-23-8-4-3-7-20(21)23;1-18-10-12-19(13-11-18)17-33(2)21-7-5-6-20(14-21)31-27-30-16-24(28)26(32-27)23-15-29-25-9-4-3-8-22(23)25;1-17-9-11-18(12-10-17)27(33)32-20-6-4-5-19(13-20)31-26-14-22(24(28)16-30-26)23-15-29-25-8-3-2-7-21(23)25;1-17-5-4-6-19(13-17)25(33)14-18-9-11-20(12-10-18)31-27-30-16-23(28)26(32-27)22-15-29-24-8-3-2-7-21(22)24;1-15-6-8-16(9-7-15)24(35)32-17-10-18(12-26(28,29)11-17)33-25-31-14-21(27)23(34-25)20-13-30-22-5-3-2-4-19(20)22;1-15-9-10-19(22(28)11-15)25(34)31-16-5-4-6-17(12-16)32-26-30-14-21(27)24(33-26)20-13-29-23-8-3-2-7-18(20)23;1-16-9-11-17(12-10-16)25(33)30-18-5-4-6-19(13-18)31-26-29-15-22(27)24(32-26)21-14-28-23-8-3-2-7-20(21)23;1-17-9-11-18(12-10-17)25(32)29-19-5-4-6-20(15-19)30-26-27-14-13-24(31-26)22-16-28-23-8-3-2-7-21(22)23;1-16-8-10-17(11-9-16)24(33)29-18-5-4-6-19(13-18)30-25-27-15-21(26)23(31-25)20-14-28-32-12-3-2-7-22(20)32;1-15-9-11-16(12-10-15)24(33)28-17-5-4-6-18(13-17)29-25-27-14-20(26)23(30-25)22-19-7-2-3-8-21(19)31-32-22/h2-3,7-10,15,17-18,20-21,32H,4-6,11-14,16H2,1H3,(H,34,38)(H,33,35,36);2-3,7-12,14-15,19-20,30H,4-6,13H2,1H3,(H,32,37)(H,33,38)(H,31,34,35);2-3,7-12,14-15,18-19,25,32,34H,4-6,13H2,1H3,(H,33,35,36);3-4,8-13,15-16,19-20H,5-7,14H2,1-2H3,(H,30,34)(H,29,31,32);3-4,7-12,15-16,19,29H,5-6,13-14H2,1-2H3,(H,33,34)(H,30,31,32);3-4,8-13,15-16,20-21,29H,5-7,14,17H2,1-2H3,(H,30,31,32);2-3,7-12,14-16,19-20,29H,4-6,13H2,1H3,(H,30,31)(H,32,33);2-8,13,15-16,18,20,29H,9-12,14H2,1H3,(H,30,31,32);2-9,13-14,17-18,30H,10-12H2,1H3,(H,32,35)(H,31,33,34);2-3,7-11,13-14,16-17,29H,4-6,12H2,1H3,(H,31,34)(H,30,32,33);2-3,7-12,14-15,18-19,28H,4-6,13H2,1H3,(H,30,33)(H,29,31,32);2-3,7-14,16,19-20,28H,4-6,15H2,1H3,(H,29,32)(H,27,30,31);2-3,7-12,14-15,18-19H,4-6,13H2,1H3,(H,29,33)(H,27,30,31);2-3,7-12,14,17-18H,4-6,13H2,1H3,(H,28,33)(H,31,32)(H,27,29,30)/t20-,21+;19-,20+;18-,19+,25+;19-,20+;19-,27+;20-,21+;19-,20+;;17-,18+;16-,17+;18-,19+;19-,20+;18-,19+;17-,18+/m0000111.100000/s1.
What are the key properties of N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide?
N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide has a molecular weight of 6681.06 g/mol, XLogP of 81.45, 76 rotatable bonds, 39 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-fluoro-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methyl-2-morpholin-4-ylbenzamide;2-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-1-(3-methylphenyl)ethanone;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-(2-oxopropanoylamino)benzamide;N-[(1R,5S)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-methylbenzamide;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(4-methylphenyl)methyl]cyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]cyclohexane-1,3-diamine;N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;N-[(1S,3R)-3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide is sourced from PubChem (CID 161170972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).