7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C198H206F8N60O43S — CID 161415721

IUPAC7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)N1CC(NC(=O)[C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)C1.CNC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)N1CCC(N(C)C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)N1CCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)NC1CCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)NC1CN(C)C1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)NC1CN(S(C)(=O)=O)C1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCN(C(C)(C)C)C4=O)n4ncc(F)c4n3)cc21
InChIInChI=1S/C27H31FN8O5.C26H28FN7O5.C25H25FN8O6.C25H26FN7O5.C24H25FN8O7S.C24H25FN8O5.C24H24FN7O5.C23H22FN7O5/c1-15(26(39)35-9-7-17(8-10-35)33(2)3)31-25(38)21-12-19(32-23-18(28)14-30-36(21)23)24(37)29-13-16-5-6-22-20(11-16)34(4)27(40)41-22;1-28-23(35)16-6-3-14(4-7-16)11-30-25(37)20-10-18(32-22-17(27)13-31-34(20)22)24(36)29-12-15-5-8-21-19(9-15)33(2)26(38)39-21;1-12(22(36)30-15-10-33(11-15)13(2)35)29-24(38)19-7-17(31-21-16(26)9-28-34(19)21)23(37)27-8-14-4-5-20-18(6-14)32(3)25(39)40-20;1-25(2,3)32-8-7-15(23(32)36)30-22(35)18-10-16(29-20-14(26)12-28-33(18)20)21(34)27-11-13-5-6-19-17(9-13)31(4)24(37)38-19;1-12(21(34)29-14-10-32(11-14)41(3,38)39)28-23(36)18-7-16(30-20-15(25)9-27-33(18)20)22(35)26-8-13-4-5-19-17(6-13)31(2)24(37)40-19;1-12(21(34)29-14-10-31(2)11-14)28-23(36)18-7-16(30-20-15(25)9-27-33(18)20)22(35)26-8-13-4-5-19-17(6-13)32(3)24(37)38-19;1-12(21(33)29-14-4-3-5-14)28-23(35)18-9-16(30-20-15(25)11-27-32(18)20)22(34)26-10-13-6-7-19-17(8-13)31(2)24(36)37-19;1-12(22(34)30-6-3-7-30)27-21(33)17-9-15(28-19-14(24)11-26-31(17)19)20(32)25-10-13-4-5-18-16(8-13)29(2)23(35)36-18/h5-6,11-12,14-15,17H,7-10,13H2,1-4H3,(H,29,37)(H,31,38);5,8-10,13-14,16H,3-4,6-7,11-12H2,1-2H3,(H,28,35)(H,29,36)(H,30,37);4-7,9,12,15H,8,10-11H2,1-3H3,(H,27,37)(H,29,38)(H,30,36);5-6,9-10,12,15H,7-8,11H2,1-4H3,(H,27,34)(H,30,35);4-7,9,12,14H,8,10-11H2,1-3H3,(H,26,35)(H,28,36)(H,29,34);4-7,9,12,14H,8,10-11H2,1-3H3,(H,26,35)(H,28,36)(H,29,34);6-9,11-12,14H,3-5,10H2,1-2H3,(H,26,34)(H,28,35)(H,29,33);4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,32)(H,27,33)/t15-;;12-;15-;4*12-/m0.000000/s1
InChIKeyVWBDRAVVDIBQMX-GJQVUIICSA-N
MW4298.25 g/mol
LogP4.06
Rot. Bonds54

About 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 161415721) has the molecular formula C198H206F8N60O43S and a molecular weight of 4298.25 g/mol. Its IUPAC name is 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID161415721
Molecular FormulaC198H206F8N60O43S
Molecular Weight4298.25 g/mol
Exact Mass4295.54
IUPAC Name7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)N1CC(NC(=O)[C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)C1.CNC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)N1CCC(N(C)C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)N1CCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)NC1CCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)NC1CN(C)C1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)NC1CN(S(C)(=O)=O)C1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCN(C(C)(C)C)C4=O)n4ncc(F)c4n3)cc21
InChIInChI=1S/C27H31FN8O5.C26H28FN7O5.C25H25FN8O6.C25H26FN7O5.C24H25FN8O7S.C24H25FN8O5.C24H24FN7O5.C23H22FN7O5/c1-15(26(39)35-9-7-17(8-10-35)33(2)3)31-25(38)21-12-19(32-23-18(28)14-30-36(21)23)24(37)29-13-16-5-6-22-20(11-16)34(4)27(40)41-22;1-28-23(35)16-6-3-14(4-7-16)11-30-25(37)20-10-18(32-22-17(27)13-31-34(20)22)24(36)29-12-15-5-8-21-19(9-15)33(2)26(38)39-21;1-12(22(36)30-15-10-33(11-15)13(2)35)29-24(38)19-7-17(31-21-16(26)9-28-34(19)21)23(37)27-8-14-4-5-20-18(6-14)32(3)25(39)40-20;1-25(2,3)32-8-7-15(23(32)36)30-22(35)18-10-16(29-20-14(26)12-28-33(18)20)21(34)27-11-13-5-6-19-17(9-13)31(4)24(37)38-19;1-12(21(34)29-14-10-32(11-14)41(3,38)39)28-23(36)18-7-16(30-20-15(25)9-27-33(18)20)22(35)26-8-13-4-5-19-17(6-13)31(2)24(37)40-19;1-12(21(34)29-14-10-31(2)11-14)28-23(36)18-7-16(30-20-15(25)9-27-33(18)20)22(35)26-8-13-4-5-19-17(6-13)32(3)24(37)38-19;1-12(21(33)29-14-4-3-5-14)28-23(35)18-9-16(30-20-15(25)11-27-32(18)20)22(34)26-10-13-6-7-19-17(8-13)31(2)24(36)37-19;1-12(22(34)30-6-3-7-30)27-21(33)17-9-15(28-19-14(24)11-26-31(17)19)20(32)25-10-13-4-5-18-16(8-13)29(2)23(35)36-18/h5-6,11-12,14-15,17H,7-10,13H2,1-4H3,(H,29,37)(H,31,38);5,8-10,13-14,16H,3-4,6-7,11-12H2,1-2H3,(H,28,35)(H,29,36)(H,30,37);4-7,9,12,15H,8,10-11H2,1-3H3,(H,27,37)(H,29,38)(H,30,36);5-6,9-10,12,15H,7-8,11H2,1-4H3,(H,27,34)(H,30,35);4-7,9,12,14H,8,10-11H2,1-3H3,(H,26,35)(H,28,36)(H,29,34);4-7,9,12,14H,8,10-11H2,1-3H3,(H,26,35)(H,28,36)(H,29,34);6-9,11-12,14H,3-5,10H2,1-2H3,(H,26,34)(H,28,35)(H,29,33);4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,32)(H,27,33)/t15-;;12-;15-;4*12-/m0.000000/s1
InChIKeyVWBDRAVVDIBQMX-GJQVUIICSA-N
XLogP4.06
TPSA1258.84 Ų
H-Bond Donors21
H-Bond Acceptors77
Rotatable Bonds54
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004298.25
LogP ≤ 54.06
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1077

Analyze 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
CID 158065820
7-N-[(2S)-4-(1-acetylazetidin-3-yl)-3-oxobutan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-4-cyclobutyl-3-oxobutan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-4-(1-methylazetidin-3-yl)-3-oxobutan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-4-(1-methylsulfonylazetidin-3-yl)-3-oxobutan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(4-propanoylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 159221454
7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461597
7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157368627
3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461303
7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462658
3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461841
7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462684
7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 161360476
7-N-[(2S)-4-(1-acetylazetidin-3-yl)-3-oxobutan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-4-cyclobutyl-3-oxobutan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-4-(1-methylazetidin-3-yl)-3-oxobutan-2-yl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-[(4-propanoylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 159672807
7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462999
7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-hydroxycuban-1-yl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
CID 161303830

Frequently Asked Questions

What is the IUPAC name of 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 161415721) is 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)N1CC(NC(=O)[C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)C1.CNC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)N1CCC(N(C)C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)N1CCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)NC1CCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)NC1CN(C)C1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12)C(=O)NC1CN(S(C)(=O)=O)C1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCN(C(C)(C)C)C4=O)n4ncc(F)c4n3)cc21.
What is the InChIKey of 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is VWBDRAVVDIBQMX-GJQVUIICSA-N. The full InChI is InChI=1S/C27H31FN8O5.C26H28FN7O5.C25H25FN8O6.C25H26FN7O5.C24H25FN8O7S.C24H25FN8O5.C24H24FN7O5.C23H22FN7O5/c1-15(26(39)35-9-7-17(8-10-35)33(2)3)31-25(38)21-12-19(32-23-18(28)14-30-36(21)23)24(37)29-13-16-5-6-22-20(11-16)34(4)27(40)41-22;1-28-23(35)16-6-3-14(4-7-16)11-30-25(37)20-10-18(32-22-17(27)13-31-34(20)22)24(36)29-12-15-5-8-21-19(9-15)33(2)26(38)39-21;1-12(22(36)30-15-10-33(11-15)13(2)35)29-24(38)19-7-17(31-21-16(26)9-28-34(19)21)23(37)27-8-14-4-5-20-18(6-14)32(3)25(39)40-20;1-25(2,3)32-8-7-15(23(32)36)30-22(35)18-10-16(29-20-14(26)12-28-33(18)20)21(34)27-11-13-5-6-19-17(9-13)31(4)24(37)38-19;1-12(21(34)29-14-10-32(11-14)41(3,38)39)28-23(36)18-7-16(30-20-15(25)9-27-33(18)20)22(35)26-8-13-4-5-19-17(6-13)31(2)24(37)40-19;1-12(21(34)29-14-10-31(2)11-14)28-23(36)18-7-16(30-20-15(25)9-27-33(18)20)22(35)26-8-13-4-5-19-17(6-13)32(3)24(37)38-19;1-12(21(33)29-14-4-3-5-14)28-23(35)18-9-16(30-20-15(25)11-27-32(18)20)22(34)26-10-13-6-7-19-17(8-13)31(2)24(36)37-19;1-12(22(34)30-6-3-7-30)27-21(33)17-9-15(28-19-14(24)11-26-31(17)19)20(32)25-10-13-4-5-18-16(8-13)29(2)23(35)36-18/h5-6,11-12,14-15,17H,7-10,13H2,1-4H3,(H,29,37)(H,31,38);5,8-10,13-14,16H,3-4,6-7,11-12H2,1-2H3,(H,28,35)(H,29,36)(H,30,37);4-7,9,12,15H,8,10-11H2,1-3H3,(H,27,37)(H,29,38)(H,30,36);5-6,9-10,12,15H,7-8,11H2,1-4H3,(H,27,34)(H,30,35);4-7,9,12,14H,8,10-11H2,1-3H3,(H,26,35)(H,28,36)(H,29,34);4-7,9,12,14H,8,10-11H2,1-3H3,(H,26,35)(H,28,36)(H,29,34);6-9,11-12,14H,3-5,10H2,1-2H3,(H,26,34)(H,28,35)(H,29,33);4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,32)(H,27,33)/t15-;;12-;15-;4*12-/m0.000000/s1.
What are the key properties of 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 4298.25 g/mol, XLogP of 4.06, 54 rotatable bonds, 21 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 161415721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).