7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide

C323H278Cl3F15N70O49S2 — CID 157257300

IUPAC7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2ccnn12.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)n2nnnc2n1.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2nncn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)nc2nncn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2nncn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2cc(Cl)nn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2nncn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)OC(F)(F)C(F)(F)O3)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)OCCO3)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)n2ncc(F)c2n1
InChIInChI=1S/C29H25ClN6O5.C29H22F5N5O5.C29H26FN5O5.C28H25N7O5.C27H22ClF2N5O4.C27H25FN6O3.C26H22ClFN6O3.C26H24FN7O3.C26H23FN6O3.C26H22FN5O3.2C25H21FN6O5S/c1-14-17(15(2)37)4-5-19-18(14)6-7-20(19)34-29(40)23-10-22(32-26-11-25(30)35-36(23)26)28(39)31-12-16-3-8-24-21(9-16)33-27(38)13-41-24;1-13-16(14(2)40)4-5-18-17(13)6-7-20(18)38-27(42)22-10-21(37-25-19(30)12-36-39(22)25)26(41)35-11-15-3-8-23-24(9-15)44-29(33,34)28(31,32)43-23;1-15-18(16(2)36)4-5-20-19(15)6-7-22(20)34-29(38)24-12-23(33-27-21(30)14-32-35(24)27)28(37)31-13-17-3-8-25-26(11-17)40-10-9-39-25;1-14-17(15(2)36)4-5-19-18(14)6-7-20(19)32-27(39)23-10-22(33-28-34-30-13-35(23)28)26(38)29-11-16-3-8-24-21(9-16)31-25(37)12-40-24;1-12-15(13(2)36)4-5-16-17(12)8-23(37)24(16)34-26(38)21-9-22(35-25(33-21)20(30)11-32-35)27(39)31-10-14-3-6-19(29)18(28)7-14;1-14-10-17(4-8-21(14)28)12-29-25(36)23-11-24(34-13-30-33-27(34)32-23)26(37)31-22-9-7-19-15(2)18(16(3)35)5-6-20(19)22;1-13-16(14(2)35)4-5-18-17(13)6-8-21(18)31-25(37)23-10-22(32-26-33-30-12-34(23)26)24(36)29-11-15-3-7-20(28)19(27)9-15;1-13-10-16(4-8-20(13)27)12-28-25(37)23-11-22(30-26-31-32-33-34(23)26)24(36)29-21-9-7-18-14(2)17(15(3)35)5-6-19(18)21;1-14-18(15(2)34)7-8-20-19(14)9-10-21(20)30-25(36)23-11-22(31-26-32-29-13-33(23)26)24(35)28-12-16-3-5-17(27)6-4-16;1-15(33)17-4-8-20-18(12-17)5-9-21(20)31-26(35)23-13-22(30-24-10-11-29-32(23)24)25(34)28-14-16-2-6-19(27)7-3-16;2*1-13-7-15(3-6-18(13)26)10-27-23(34)19-9-21(32-25(31-19)28-12-29-32)24(35)30-20-11-38(36,37)22-8-16(14(2)33)4-5-17(20)22/h3-5,8-11,20H,6-7,12-13H2,1-2H3,(H,31,39)(H,33,38)(H,34,40);3-5,8-10,12,20H,6-7,11H2,1-2H3,(H,35,41)(H,38,42);3-5,8,11-12,14,22H,6-7,9-10,13H2,1-2H3,(H,31,37)(H,34,38);3-5,8-10,13,20H,6-7,11-12H2,1-2H3,(H,29,38)(H,31,37)(H,32,39);3-7,9,11,23-24,37H,8,10H2,1-2H3,(H,31,39)(H,34,38);4-6,8,10-11,13,22H,7,9,12H2,1-3H3,(H,29,36)(H,31,37);3-5,7,9-10,12,21H,6,8,11H2,1-2H3,(H,29,36)(H,31,37);4-6,8,10-11,21H,7,9,12H2,1-3H3,(H,28,37)(H,29,36);3-8,11,13,21H,9-10,12H2,1-2H3,(H,28,35)(H,30,36);2-4,6-8,10-13,21H,5,9,14H2,1H3,(H,28,34)(H,31,35);2*3-9,12,20H,10-11H2,1-2H3,(H,27,34)(H,30,35)/t2*20-;22-;20-;23-,24+;22-;4*21-;;/m0000000000../s1
InChIKeyAXAPZGDSCSPJSC-CPIVJJPRSA-N
MW6379.68 g/mol
LogP38.05
Rot. Bonds72

About 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide

7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide (PubChem CID 157257300) has the molecular formula C323H278Cl3F15N70O49S2 and a molecular weight of 6379.68 g/mol. Its IUPAC name is 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide
PubChem CID157257300
Molecular FormulaC323H278Cl3F15N70O49S2
Molecular Weight6379.68 g/mol
Exact Mass6373.97
IUPAC Name7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2ccnn12.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)n2nnnc2n1.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2nncn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)nc2nncn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2nncn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2cc(Cl)nn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2nncn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)OC(F)(F)C(F)(F)O3)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)OCCO3)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)n2ncc(F)c2n1
InChIInChI=1S/C29H25ClN6O5.C29H22F5N5O5.C29H26FN5O5.C28H25N7O5.C27H22ClF2N5O4.C27H25FN6O3.C26H22ClFN6O3.C26H24FN7O3.C26H23FN6O3.C26H22FN5O3.2C25H21FN6O5S/c1-14-17(15(2)37)4-5-19-18(14)6-7-20(19)34-29(40)23-10-22(32-26-11-25(30)35-36(23)26)28(39)31-12-16-3-8-24-21(9-16)33-27(38)13-41-24;1-13-16(14(2)40)4-5-18-17(13)6-7-20(18)38-27(42)22-10-21(37-25-19(30)12-36-39(22)25)26(41)35-11-15-3-8-23-24(9-15)44-29(33,34)28(31,32)43-23;1-15-18(16(2)36)4-5-20-19(15)6-7-22(20)34-29(38)24-12-23(33-27-21(30)14-32-35(24)27)28(37)31-13-17-3-8-25-26(11-17)40-10-9-39-25;1-14-17(15(2)36)4-5-19-18(14)6-7-20(19)32-27(39)23-10-22(33-28-34-30-13-35(23)28)26(38)29-11-16-3-8-24-21(9-16)31-25(37)12-40-24;1-12-15(13(2)36)4-5-16-17(12)8-23(37)24(16)34-26(38)21-9-22(35-25(33-21)20(30)11-32-35)27(39)31-10-14-3-6-19(29)18(28)7-14;1-14-10-17(4-8-21(14)28)12-29-25(36)23-11-24(34-13-30-33-27(34)32-23)26(37)31-22-9-7-19-15(2)18(16(3)35)5-6-20(19)22;1-13-16(14(2)35)4-5-18-17(13)6-8-21(18)31-25(37)23-10-22(32-26-33-30-12-34(23)26)24(36)29-11-15-3-7-20(28)19(27)9-15;1-13-10-16(4-8-20(13)27)12-28-25(37)23-11-22(30-26-31-32-33-34(23)26)24(36)29-21-9-7-18-14(2)17(15(3)35)5-6-19(18)21;1-14-18(15(2)34)7-8-20-19(14)9-10-21(20)30-25(36)23-11-22(31-26-32-29-13-33(23)26)24(35)28-12-16-3-5-17(27)6-4-16;1-15(33)17-4-8-20-18(12-17)5-9-21(20)31-26(35)23-13-22(30-24-10-11-29-32(23)24)25(34)28-14-16-2-6-19(27)7-3-16;2*1-13-7-15(3-6-18(13)26)10-27-23(34)19-9-21(32-25(31-19)28-12-29-32)24(35)30-20-11-38(36,37)22-8-16(14(2)33)4-5-17(20)22/h3-5,8-11,20H,6-7,12-13H2,1-2H3,(H,31,39)(H,33,38)(H,34,40);3-5,8-10,12,20H,6-7,11H2,1-2H3,(H,35,41)(H,38,42);3-5,8,11-12,14,22H,6-7,9-10,13H2,1-2H3,(H,31,37)(H,34,38);3-5,8-10,13,20H,6-7,11-12H2,1-2H3,(H,29,38)(H,31,37)(H,32,39);3-7,9,11,23-24,37H,8,10H2,1-2H3,(H,31,39)(H,34,38);4-6,8,10-11,13,22H,7,9,12H2,1-3H3,(H,29,36)(H,31,37);3-5,7,9-10,12,21H,6,8,11H2,1-2H3,(H,29,36)(H,31,37);4-6,8,10-11,21H,7,9,12H2,1-3H3,(H,28,37)(H,29,36);3-8,11,13,21H,9-10,12H2,1-2H3,(H,28,35)(H,30,36);2-4,6-8,10-13,21H,5,9,14H2,1H3,(H,28,34)(H,31,35);2*3-9,12,20H,10-11H2,1-2H3,(H,27,34)(H,30,35)/t2*20-;22-;20-;23-,24+;22-;4*21-;;/m0000000000../s1
InChIKeyAXAPZGDSCSPJSC-CPIVJJPRSA-N
XLogP38.05
TPSA1570.73 Ų
H-Bond Donors27
H-Bond Acceptors93
Rotatable Bonds72
Heavy Atoms462
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006379.68
LogP ≤ 538.05
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1093

Analyze 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide with MolForge

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What is the IUPAC name of 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide (CID 157257300) is 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2ccnn12.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)n2nnnc2n1.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2nncn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)nc2nncn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2nncn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2cc(Cl)nn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2nncn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)OC(F)(F)C(F)(F)O3)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)OCCO3)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)n2ncc(F)c2n1.
What is the InChIKey of 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is AXAPZGDSCSPJSC-CPIVJJPRSA-N. The full InChI is InChI=1S/C29H25ClN6O5.C29H22F5N5O5.C29H26FN5O5.C28H25N7O5.C27H22ClF2N5O4.C27H25FN6O3.C26H22ClFN6O3.C26H24FN7O3.C26H23FN6O3.C26H22FN5O3.2C25H21FN6O5S/c1-14-17(15(2)37)4-5-19-18(14)6-7-20(19)34-29(40)23-10-22(32-26-11-25(30)35-36(23)26)28(39)31-12-16-3-8-24-21(9-16)33-27(38)13-41-24;1-13-16(14(2)40)4-5-18-17(13)6-7-20(18)38-27(42)22-10-21(37-25-19(30)12-36-39(22)25)26(41)35-11-15-3-8-23-24(9-15)44-29(33,34)28(31,32)43-23;1-15-18(16(2)36)4-5-20-19(15)6-7-22(20)34-29(38)24-12-23(33-27-21(30)14-32-35(24)27)28(37)31-13-17-3-8-25-26(11-17)40-10-9-39-25;1-14-17(15(2)36)4-5-19-18(14)6-7-20(19)32-27(39)23-10-22(33-28-34-30-13-35(23)28)26(38)29-11-16-3-8-24-21(9-16)31-25(37)12-40-24;1-12-15(13(2)36)4-5-16-17(12)8-23(37)24(16)34-26(38)21-9-22(35-25(33-21)20(30)11-32-35)27(39)31-10-14-3-6-19(29)18(28)7-14;1-14-10-17(4-8-21(14)28)12-29-25(36)23-11-24(34-13-30-33-27(34)32-23)26(37)31-22-9-7-19-15(2)18(16(3)35)5-6-20(19)22;1-13-16(14(2)35)4-5-18-17(13)6-8-21(18)31-25(37)23-10-22(32-26-33-30-12-34(23)26)24(36)29-11-15-3-7-20(28)19(27)9-15;1-13-10-16(4-8-20(13)27)12-28-25(37)23-11-22(30-26-31-32-33-34(23)26)24(36)29-21-9-7-18-14(2)17(15(3)35)5-6-19(18)21;1-14-18(15(2)34)7-8-20-19(14)9-10-21(20)30-25(36)23-11-22(31-26-32-29-13-33(23)26)24(35)28-12-16-3-5-17(27)6-4-16;1-15(33)17-4-8-20-18(12-17)5-9-21(20)31-26(35)23-13-22(30-24-10-11-29-32(23)24)25(34)28-14-16-2-6-19(27)7-3-16;2*1-13-7-15(3-6-18(13)26)10-27-23(34)19-9-21(32-25(31-19)28-12-29-32)24(35)30-20-11-38(36,37)22-8-16(14(2)33)4-5-17(20)22/h3-5,8-11,20H,6-7,12-13H2,1-2H3,(H,31,39)(H,33,38)(H,34,40);3-5,8-10,12,20H,6-7,11H2,1-2H3,(H,35,41)(H,38,42);3-5,8,11-12,14,22H,6-7,9-10,13H2,1-2H3,(H,31,37)(H,34,38);3-5,8-10,13,20H,6-7,11-12H2,1-2H3,(H,29,38)(H,31,37)(H,32,39);3-7,9,11,23-24,37H,8,10H2,1-2H3,(H,31,39)(H,34,38);4-6,8,10-11,13,22H,7,9,12H2,1-3H3,(H,29,36)(H,31,37);3-5,7,9-10,12,21H,6,8,11H2,1-2H3,(H,29,36)(H,31,37);4-6,8,10-11,21H,7,9,12H2,1-3H3,(H,28,37)(H,29,36);3-8,11,13,21H,9-10,12H2,1-2H3,(H,28,35)(H,30,36);2-4,6-8,10-13,21H,5,9,14H2,1H3,(H,28,34)(H,31,35);2*3-9,12,20H,10-11H2,1-2H3,(H,27,34)(H,30,35)/t2*20-;22-;20-;23-,24+;22-;4*21-;;/m0000000000../s1.
What are the key properties of 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide?
7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 6379.68 g/mol, XLogP of 38.05, 72 rotatable bonds, 27 hydrogen bond donors, and 93 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-2-chloro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 157257300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).