N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C355H471N87O30S — CID 159070651

IUPACN-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC(C)C)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCC(S(C)(=O)=O)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc4[nH]ncc4c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(N(C)CCN4CCCC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(NCCN4CCCC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(NCCN4CCN(C)CC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCN(CC)CC)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCN4CCCC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCN4CCN(C)CC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCN4CCOCC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCn4ccnc4)c3)nc21.CCNC(=O)c1ccc(Nc2ncc3c(n2)N(C(CC)CC)C(=O)C3)cc1
InChIInChI=1S/C24H35N7O.C24H34N6O2.C24H34N6O.C23H32N6O.C23H31N5O3S.C23H31N5O3.2C23H31N5O2.C23H29N5O2.C23H33N5O2.C22H26N6O2.C22H29N5O2.C21H27N5O2.C20H25N5O2.C19H23N5O2.C18H20N6O/c1-4-21(5-2)31-22(32)15-18-17-26-24(28-23(18)31)27-20-8-6-7-19(16-20)25-9-10-30-13-11-29(3)12-14-30;1-4-20(5-2)30-22(31)15-18-17-25-24(27-23(18)30)26-19-7-6-8-21(16-19)32-14-13-29-11-9-28(3)10-12-29;1-4-20(5-2)30-22(31)15-18-17-25-24(27-23(18)30)26-19-9-8-10-21(16-19)28(3)13-14-29-11-6-7-12-29;1-3-20(4-2)29-21(30)14-17-16-25-23(27-22(17)29)26-19-9-7-8-18(15-19)24-10-13-28-11-5-6-12-28;1-4-18(5-2)28-21(29)14-16-15-24-23(26-22(16)28)25-17-6-8-19(9-7-17)27-12-10-20(11-13-27)32(3,30)31;1-3-19(4-2)28-21(29)14-17-16-24-23(26-22(17)28)25-18-6-5-7-20(15-18)31-13-10-27-8-11-30-12-9-27;1-3-19(4-2)28-21(29)15-17-16-24-23(26-22(17)28)25-18-7-9-20(10-8-18)30-14-13-27-11-5-6-12-27;1-3-19(4-2)28-21(29)14-17-16-24-23(26-22(17)28)25-18-8-7-9-20(15-18)30-13-12-27-10-5-6-11-27;1-3-19(4-2)28-20(29)13-16-14-24-23(27-21(16)28)26-18-11-9-15(10-12-18)22(30)25-17-7-5-6-8-17;1-5-19(6-2)28-21(29)14-17-16-24-23(26-22(17)28)25-18-10-9-11-20(15-18)30-13-12-27(7-3)8-4;1-3-18(4-2)28-20(29)12-16-14-24-22(26-21(16)28)25-17-6-5-7-19(13-17)30-11-10-27-9-8-23-15-27;1-3-17(4-2)27-20(29)13-15-14-23-22(25-21(15)27)24-16-5-7-18(8-6-16)26-11-9-19(28)10-12-26;1-5-17(6-2)26-18(27)11-15-12-22-21(25-19(15)26)24-16-9-7-14(8-10-16)20(28)23-13(3)4;1-4-16(5-2)25-17(26)11-14-12-22-20(24-18(14)25)23-15-9-7-13(8-10-15)19(27)21-6-3;1-4-15(5-2)24-16(25)10-13-11-21-19(23-17(13)24)22-14-8-6-12(7-9-14)18(26)20-3;1-3-14(4-2)24-16(25)8-12-9-19-18(22-17(12)24)21-13-5-6-15-11(7-13)10-20-23-15/h6-8,16-17,21,25H,4-5,9-15H2,1-3H3,(H,26,27,28);6-8,16-17,20H,4-5,9-15H2,1-3H3,(H,25,26,27);8-10,16-17,20H,4-7,11-15H2,1-3H3,(H,25,26,27);7-9,15-16,20,24H,3-6,10-14H2,1-2H3,(H,25,26,27);6-9,15,18,20H,4-5,10-14H2,1-3H3,(H,24,25,26);5-7,15-16,19H,3-4,8-14H2,1-2H3,(H,24,25,26);7-10,16,19H,3-6,11-15H2,1-2H3,(H,24,25,26);7-9,15-16,19H,3-6,10-14H2,1-2H3,(H,24,25,26);9-12,14,17,19H,3-8,13H2,1-2H3,(H,25,30)(H,24,26,27);9-11,15-16,19H,5-8,12-14H2,1-4H3,(H,24,25,26);5-9,13-15,18H,3-4,10-12H2,1-2H3,(H,24,25,26);5-8,14,17,19,28H,3-4,9-13H2,1-2H3,(H,23,24,25);7-10,12-13,17H,5-6,11H2,1-4H3,(H,23,28)(H,22,24,25);7-10,12,16H,4-6,11H2,1-3H3,(H,21,27)(H,22,23,24);6-9,11,15H,4-5,10H2,1-3H3,(H,20,26)(H,21,22,23);5-7,9-10,14H,3-4,8H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyJZPJLYYIEHVTSH-UHFFFAOYSA-N
MW6469.32 g/mol
LogP54.52
Rot. Bonds128

About N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one

N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159070651) has the molecular formula C355H471N87O30S and a molecular weight of 6469.32 g/mol. Its IUPAC name is N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound NameN-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID159070651
Molecular FormulaC355H471N87O30S
Molecular Weight6469.32 g/mol
Exact Mass6464.77
IUPAC NameN-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC(C)C)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCC(S(C)(=O)=O)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc4[nH]ncc4c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(N(C)CCN4CCCC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(NCCN4CCCC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(NCCN4CCN(C)CC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCN(CC)CC)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCN4CCCC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCN4CCN(C)CC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCN4CCOCC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCn4ccnc4)c3)nc21.CCNC(=O)c1ccc(Nc2ncc3c(n2)N(C(CC)CC)C(=O)C3)cc1
InChIInChI=1S/C24H35N7O.C24H34N6O2.C24H34N6O.C23H32N6O.C23H31N5O3S.C23H31N5O3.2C23H31N5O2.C23H29N5O2.C23H33N5O2.C22H26N6O2.C22H29N5O2.C21H27N5O2.C20H25N5O2.C19H23N5O2.C18H20N6O/c1-4-21(5-2)31-22(32)15-18-17-26-24(28-23(18)31)27-20-8-6-7-19(16-20)25-9-10-30-13-11-29(3)12-14-30;1-4-20(5-2)30-22(31)15-18-17-25-24(27-23(18)30)26-19-7-6-8-21(16-19)32-14-13-29-11-9-28(3)10-12-29;1-4-20(5-2)30-22(31)15-18-17-25-24(27-23(18)30)26-19-9-8-10-21(16-19)28(3)13-14-29-11-6-7-12-29;1-3-20(4-2)29-21(30)14-17-16-25-23(27-22(17)29)26-19-9-7-8-18(15-19)24-10-13-28-11-5-6-12-28;1-4-18(5-2)28-21(29)14-16-15-24-23(26-22(16)28)25-17-6-8-19(9-7-17)27-12-10-20(11-13-27)32(3,30)31;1-3-19(4-2)28-21(29)14-17-16-24-23(26-22(17)28)25-18-6-5-7-20(15-18)31-13-10-27-8-11-30-12-9-27;1-3-19(4-2)28-21(29)15-17-16-24-23(26-22(17)28)25-18-7-9-20(10-8-18)30-14-13-27-11-5-6-12-27;1-3-19(4-2)28-21(29)14-17-16-24-23(26-22(17)28)25-18-8-7-9-20(15-18)30-13-12-27-10-5-6-11-27;1-3-19(4-2)28-20(29)13-16-14-24-23(27-21(16)28)26-18-11-9-15(10-12-18)22(30)25-17-7-5-6-8-17;1-5-19(6-2)28-21(29)14-17-16-24-23(26-22(17)28)25-18-10-9-11-20(15-18)30-13-12-27(7-3)8-4;1-3-18(4-2)28-20(29)12-16-14-24-22(26-21(16)28)25-17-6-5-7-19(13-17)30-11-10-27-9-8-23-15-27;1-3-17(4-2)27-20(29)13-15-14-23-22(25-21(15)27)24-16-5-7-18(8-6-16)26-11-9-19(28)10-12-26;1-5-17(6-2)26-18(27)11-15-12-22-21(25-19(15)26)24-16-9-7-14(8-10-16)20(28)23-13(3)4;1-4-16(5-2)25-17(26)11-14-12-22-20(24-18(14)25)23-15-9-7-13(8-10-15)19(27)21-6-3;1-4-15(5-2)24-16(25)10-13-11-21-19(23-17(13)24)22-14-8-6-12(7-9-14)18(26)20-3;1-3-14(4-2)24-16(25)8-12-9-19-18(22-17(12)24)21-13-5-6-15-11(7-13)10-20-23-15/h6-8,16-17,21,25H,4-5,9-15H2,1-3H3,(H,26,27,28);6-8,16-17,20H,4-5,9-15H2,1-3H3,(H,25,26,27);8-10,16-17,20H,4-7,11-15H2,1-3H3,(H,25,26,27);7-9,15-16,20,24H,3-6,10-14H2,1-2H3,(H,25,26,27);6-9,15,18,20H,4-5,10-14H2,1-3H3,(H,24,25,26);5-7,15-16,19H,3-4,8-14H2,1-2H3,(H,24,25,26);7-10,16,19H,3-6,11-15H2,1-2H3,(H,24,25,26);7-9,15-16,19H,3-6,10-14H2,1-2H3,(H,24,25,26);9-12,14,17,19H,3-8,13H2,1-2H3,(H,25,30)(H,24,26,27);9-11,15-16,19H,5-8,12-14H2,1-4H3,(H,24,25,26);5-9,13-15,18H,3-4,10-12H2,1-2H3,(H,24,25,26);5-8,14,17,19,28H,3-4,9-13H2,1-2H3,(H,23,24,25);7-10,12-13,17H,5-6,11H2,1-4H3,(H,23,28)(H,22,24,25);7-10,12,16H,4-6,11H2,1-3H3,(H,21,27)(H,22,23,24);6-9,11,15H,4-5,10H2,1-3H3,(H,20,26)(H,21,22,23);5-7,9-10,14H,3-4,8H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyJZPJLYYIEHVTSH-UHFFFAOYSA-N
XLogP54.52
TPSA1277.98 Ų
H-Bond Donors24
H-Bond Acceptors96
Rotatable Bonds128
Heavy Atoms473
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006469.32
LogP ≤ 554.52
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1096

Analyze N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 161474668
CID 157104829
CID 157104829
2-[4-(4-hydroxypiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157744878
2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158069460
1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 158396326
N-(3,5-difluorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N,N-dimethyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-phenyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-[3-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanesulfonamide
CID 158994004
4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine
CID 159197804
2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol
CID 159911382
CID 160107853
CID 160107853
CID 160554074
CID 160554074
CID 160666767
CID 160666767
2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160757148

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 159070651) is N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC(C)C)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCC(S(C)(=O)=O)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc4[nH]ncc4c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(N(C)CCN4CCCC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(NCCN4CCCC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(NCCN4CCN(C)CC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCN(CC)CC)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCN4CCCC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCN4CCN(C)CC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCN4CCOCC4)c3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3cccc(OCCn4ccnc4)c3)nc21.CCNC(=O)c1ccc(Nc2ncc3c(n2)N(C(CC)CC)C(=O)C3)cc1.
What is the InChIKey of N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is JZPJLYYIEHVTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O.C24H34N6O2.C24H34N6O.C23H32N6O.C23H31N5O3S.C23H31N5O3.2C23H31N5O2.C23H29N5O2.C23H33N5O2.C22H26N6O2.C22H29N5O2.C21H27N5O2.C20H25N5O2.C19H23N5O2.C18H20N6O/c1-4-21(5-2)31-22(32)15-18-17-26-24(28-23(18)31)27-20-8-6-7-19(16-20)25-9-10-30-13-11-29(3)12-14-30;1-4-20(5-2)30-22(31)15-18-17-25-24(27-23(18)30)26-19-7-6-8-21(16-19)32-14-13-29-11-9-28(3)10-12-29;1-4-20(5-2)30-22(31)15-18-17-25-24(27-23(18)30)26-19-9-8-10-21(16-19)28(3)13-14-29-11-6-7-12-29;1-3-20(4-2)29-21(30)14-17-16-25-23(27-22(17)29)26-19-9-7-8-18(15-19)24-10-13-28-11-5-6-12-28;1-4-18(5-2)28-21(29)14-16-15-24-23(26-22(16)28)25-17-6-8-19(9-7-17)27-12-10-20(11-13-27)32(3,30)31;1-3-19(4-2)28-21(29)14-17-16-24-23(26-22(17)28)25-18-6-5-7-20(15-18)31-13-10-27-8-11-30-12-9-27;1-3-19(4-2)28-21(29)15-17-16-24-23(26-22(17)28)25-18-7-9-20(10-8-18)30-14-13-27-11-5-6-12-27;1-3-19(4-2)28-21(29)14-17-16-24-23(26-22(17)28)25-18-8-7-9-20(15-18)30-13-12-27-10-5-6-11-27;1-3-19(4-2)28-20(29)13-16-14-24-23(27-21(16)28)26-18-11-9-15(10-12-18)22(30)25-17-7-5-6-8-17;1-5-19(6-2)28-21(29)14-17-16-24-23(26-22(17)28)25-18-10-9-11-20(15-18)30-13-12-27(7-3)8-4;1-3-18(4-2)28-20(29)12-16-14-24-22(26-21(16)28)25-17-6-5-7-19(13-17)30-11-10-27-9-8-23-15-27;1-3-17(4-2)27-20(29)13-15-14-23-22(25-21(15)27)24-16-5-7-18(8-6-16)26-11-9-19(28)10-12-26;1-5-17(6-2)26-18(27)11-15-12-22-21(25-19(15)26)24-16-9-7-14(8-10-16)20(28)23-13(3)4;1-4-16(5-2)25-17(26)11-14-12-22-20(24-18(14)25)23-15-9-7-13(8-10-15)19(27)21-6-3;1-4-15(5-2)24-16(25)10-13-11-21-19(23-17(13)24)22-14-8-6-12(7-9-14)18(26)20-3;1-3-14(4-2)24-16(25)8-12-9-19-18(22-17(12)24)21-13-5-6-15-11(7-13)10-20-23-15/h6-8,16-17,21,25H,4-5,9-15H2,1-3H3,(H,26,27,28);6-8,16-17,20H,4-5,9-15H2,1-3H3,(H,25,26,27);8-10,16-17,20H,4-7,11-15H2,1-3H3,(H,25,26,27);7-9,15-16,20,24H,3-6,10-14H2,1-2H3,(H,25,26,27);6-9,15,18,20H,4-5,10-14H2,1-3H3,(H,24,25,26);5-7,15-16,19H,3-4,8-14H2,1-2H3,(H,24,25,26);7-10,16,19H,3-6,11-15H2,1-2H3,(H,24,25,26);7-9,15-16,19H,3-6,10-14H2,1-2H3,(H,24,25,26);9-12,14,17,19H,3-8,13H2,1-2H3,(H,25,30)(H,24,26,27);9-11,15-16,19H,5-8,12-14H2,1-4H3,(H,24,25,26);5-9,13-15,18H,3-4,10-12H2,1-2H3,(H,24,25,26);5-8,14,17,19,28H,3-4,9-13H2,1-2H3,(H,23,24,25);7-10,12-13,17H,5-6,11H2,1-4H3,(H,23,28)(H,22,24,25);7-10,12,16H,4-6,11H2,1-3H3,(H,21,27)(H,22,23,24);6-9,11,15H,4-5,10H2,1-3H3,(H,20,26)(H,21,22,23);5-7,9-10,14H,3-4,8H2,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 6469.32 g/mol, XLogP of 54.52, 128 rotatable bonds, 24 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(diethylamino)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[4-(4-hydroxypiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-imidazol-1-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1H-indazol-5-ylamino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[2-(4-methylpiperazin-1-yl)ethylamino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylsulfonylpiperidin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[3-(2-morpholin-4-ylethoxy)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-pentan-3-yl-2-[3-(2-pyrrolidin-1-ylethylamino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159070651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).