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

C290H288F11N77O54S — CID 161303830

IUPAC7-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
SMILESC.C.C.C.C.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.CNC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.CNC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)N1CCC(N(C)C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)N1CCN(C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)N1CCOCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)NC1CN(C)C1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)NC1CN(S(C)(=O)=O)C1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74O)n4ncc(F)c4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C8C6C4C8C75)n4ncc(F)c4n3)cc2N1
InChIInChI=1S/C28H24FN7O5.C27H31FN8O5.C27H24FN7O4.2C27H23FN6O4.C26H21FN6O5.C26H21FN6O4.C25H27FN8O5.C24H25FN8O7S.C24H25FN8O5.C24H24FN7O6.5CH4/c1-30-26(40)28-20-17-21(28)19-22(28)18(20)27(17,19)9-32-25(39)14-5-13(35-23-11(29)7-33-36(14)23)24(38)31-6-10-2-3-15-12(4-10)34-16(37)8-41-15;1-15(27(40)35-8-6-17(7-9-35)34(2)3)31-26(39)21-11-20(33-24-18(28)13-30-36(21)24)25(38)29-12-16-4-5-22-19(10-16)32-23(37)14-41-22;1-29-27-20-17-21(27)19-22(27)18(20)26(17,19)9-31-25(38)14-5-13(34-23-11(28)7-32-35(14)23)24(37)30-6-10-2-3-15-12(4-10)33-16(36)8-39-15;2*1-26-17-20-18(26)22-19(26)21(17)27(20,22)9-30-25(37)14-5-13(33-23-11(28)7-31-34(14)23)24(36)29-6-10-2-3-15-12(4-10)32-16(35)8-38-15;27-10-6-30-33-13(24(36)29-8-25-16-19-17(25)21-18(25)20(16)26(19,21)37)4-12(32-22(10)33)23(35)28-5-9-1-2-14-11(3-9)31-15(34)7-38-14;27-10-6-30-33-13(25(36)29-8-26-20-17-16-18(20)22(26)19(16)21(17)26)4-12(32-23(10)33)24(35)28-5-9-1-2-14-11(3-9)31-15(34)7-37-14;1-14(25(38)33-7-5-32(2)6-8-33)29-24(37)19-10-18(31-22-16(26)12-28-34(19)22)23(36)27-11-15-3-4-20-17(9-15)30-21(35)13-39-20;1-12(22(35)29-14-9-32(10-14)41(2,38)39)28-24(37)18-6-17(31-21-15(25)8-27-33(18)21)23(36)26-7-13-3-4-19-16(5-13)30-20(34)11-40-19;1-12(22(35)29-14-9-32(2)10-14)28-24(37)18-6-17(31-21-15(25)8-27-33(18)21)23(36)26-7-13-3-4-19-16(5-13)30-20(34)11-38-19;1-13(24(36)31-4-6-37-7-5-31)28-23(35)18-9-17(30-21-15(25)11-27-32(18)21)22(34)26-10-14-2-3-19-16(8-14)29-20(33)12-38-19;;;;;/h2-5,7,17-22H,6,8-9H2,1H3,(H,30,40)(H,31,38)(H,32,39)(H,34,37);4-5,10-11,13,15,17H,6-9,12,14H2,1-3H3,(H,29,38)(H,31,39)(H,32,37);2-5,7,17-22,29H,6,8-9H2,1H3,(H,30,37)(H,31,38)(H,33,36);2*2-5,7,17-22H,6,8-9H2,1H3,(H,29,36)(H,30,37)(H,32,35);1-4,6,16-21,37H,5,7-8H2,(H,28,35)(H,29,36)(H,31,34);1-4,6,16-22H,5,7-8H2,(H,28,35)(H,29,36)(H,31,34);3-4,9-10,12,14H,5-8,11,13H2,1-2H3,(H,27,36)(H,29,37)(H,30,35);3-6,8,12,14H,7,9-11H2,1-2H3,(H,26,36)(H,28,37)(H,29,35)(H,30,34);3-6,8,12,14H,7,9-11H2,1-2H3,(H,26,36)(H,28,37)(H,29,35)(H,30,34);2-3,8-9,11,13H,4-7,10,12H2,1H3,(H,26,34)(H,28,35)(H,29,33);5*1H4/t;15-;;;;;;14-;2*12-;13-;;;;;/m.0.....0000...../s1
InChIKeyVHYZFTXDPXPGSX-XTZSTPSASA-N
MW5957.02 g/mol
LogP8.51
Rot. Bonds72

About 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

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 (PubChem CID 161303830) has the molecular formula C290H288F11N77O54S and a molecular weight of 5957.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID161303830
Molecular FormulaC290H288F11N77O54S
Molecular Weight5957.02 g/mol
Exact Mass5953.17
IUPAC Name7-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
SMILESC.C.C.C.C.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.CNC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.CNC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)N1CCC(N(C)C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)N1CCN(C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)N1CCOCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)NC1CN(C)C1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)NC1CN(S(C)(=O)=O)C1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74O)n4ncc(F)c4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C8C6C4C8C75)n4ncc(F)c4n3)cc2N1
InChIInChI=1S/C28H24FN7O5.C27H31FN8O5.C27H24FN7O4.2C27H23FN6O4.C26H21FN6O5.C26H21FN6O4.C25H27FN8O5.C24H25FN8O7S.C24H25FN8O5.C24H24FN7O6.5CH4/c1-30-26(40)28-20-17-21(28)19-22(28)18(20)27(17,19)9-32-25(39)14-5-13(35-23-11(29)7-33-36(14)23)24(38)31-6-10-2-3-15-12(4-10)34-16(37)8-41-15;1-15(27(40)35-8-6-17(7-9-35)34(2)3)31-26(39)21-11-20(33-24-18(28)13-30-36(21)24)25(38)29-12-16-4-5-22-19(10-16)32-23(37)14-41-22;1-29-27-20-17-21(27)19-22(27)18(20)26(17,19)9-31-25(38)14-5-13(34-23-11(28)7-32-35(14)23)24(37)30-6-10-2-3-15-12(4-10)33-16(36)8-39-15;2*1-26-17-20-18(26)22-19(26)21(17)27(20,22)9-30-25(37)14-5-13(33-23-11(28)7-31-34(14)23)24(36)29-6-10-2-3-15-12(4-10)32-16(35)8-38-15;27-10-6-30-33-13(24(36)29-8-25-16-19-17(25)21-18(25)20(16)26(19,21)37)4-12(32-22(10)33)23(35)28-5-9-1-2-14-11(3-9)31-15(34)7-38-14;27-10-6-30-33-13(25(36)29-8-26-20-17-16-18(20)22(26)19(16)21(17)26)4-12(32-23(10)33)24(35)28-5-9-1-2-14-11(3-9)31-15(34)7-37-14;1-14(25(38)33-7-5-32(2)6-8-33)29-24(37)19-10-18(31-22-16(26)12-28-34(19)22)23(36)27-11-15-3-4-20-17(9-15)30-21(35)13-39-20;1-12(22(35)29-14-9-32(10-14)41(2,38)39)28-24(37)18-6-17(31-21-15(25)8-27-33(18)21)23(36)26-7-13-3-4-19-16(5-13)30-20(34)11-40-19;1-12(22(35)29-14-9-32(2)10-14)28-24(37)18-6-17(31-21-15(25)8-27-33(18)21)23(36)26-7-13-3-4-19-16(5-13)30-20(34)11-38-19;1-13(24(36)31-4-6-37-7-5-31)28-23(35)18-9-17(30-21-15(25)11-27-32(18)21)22(34)26-10-14-2-3-19-16(8-14)29-20(33)12-38-19;;;;;/h2-5,7,17-22H,6,8-9H2,1H3,(H,30,40)(H,31,38)(H,32,39)(H,34,37);4-5,10-11,13,15,17H,6-9,12,14H2,1-3H3,(H,29,38)(H,31,39)(H,32,37);2-5,7,17-22,29H,6,8-9H2,1H3,(H,30,37)(H,31,38)(H,33,36);2*2-5,7,17-22H,6,8-9H2,1H3,(H,29,36)(H,30,37)(H,32,35);1-4,6,16-21,37H,5,7-8H2,(H,28,35)(H,29,36)(H,31,34);1-4,6,16-22H,5,7-8H2,(H,28,35)(H,29,36)(H,31,34);3-4,9-10,12,14H,5-8,11,13H2,1-2H3,(H,27,36)(H,29,37)(H,30,35);3-6,8,12,14H,7,9-11H2,1-2H3,(H,26,36)(H,28,37)(H,29,35)(H,30,34);3-6,8,12,14H,7,9-11H2,1-2H3,(H,26,36)(H,28,37)(H,29,35)(H,30,34);2-3,8-9,11,13H,4-7,10,12H2,1H3,(H,26,34)(H,28,35)(H,29,33);5*1H4/t;15-;;;;;;14-;2*12-;13-;;;;;/m.0.....0000...../s1
InChIKeyVHYZFTXDPXPGSX-XTZSTPSASA-N
XLogP8.51
TPSA1630.74 Ų
H-Bond Donors38
H-Bond Acceptors91
Rotatable Bonds72
Heavy Atoms433
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005957.02
LogP ≤ 58.51
H-Bond Donors ≤ 538
H-Bond Acceptors ≤ 1091

Analyze 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 with MolForge

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What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.CNC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.CNC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)N1CCC(N(C)C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)N1CCN(C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)N1CCOCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)NC1CN(C)C1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12)C(=O)NC1CN(S(C)(=O)=O)C1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74O)n4ncc(F)c4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C8C6C4C8C75)n4ncc(F)c4n3)cc2N1.
What is the InChIKey of 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?
The InChIKey is VHYZFTXDPXPGSX-XTZSTPSASA-N. The full InChI is InChI=1S/C28H24FN7O5.C27H31FN8O5.C27H24FN7O4.2C27H23FN6O4.C26H21FN6O5.C26H21FN6O4.C25H27FN8O5.C24H25FN8O7S.C24H25FN8O5.C24H24FN7O6.5CH4/c1-30-26(40)28-20-17-21(28)19-22(28)18(20)27(17,19)9-32-25(39)14-5-13(35-23-11(29)7-33-36(14)23)24(38)31-6-10-2-3-15-12(4-10)34-16(37)8-41-15;1-15(27(40)35-8-6-17(7-9-35)34(2)3)31-26(39)21-11-20(33-24-18(28)13-30-36(21)24)25(38)29-12-16-4-5-22-19(10-16)32-23(37)14-41-22;1-29-27-20-17-21(27)19-22(27)18(20)26(17,19)9-31-25(38)14-5-13(34-23-11(28)7-32-35(14)23)24(37)30-6-10-2-3-15-12(4-10)33-16(36)8-39-15;2*1-26-17-20-18(26)22-19(26)21(17)27(20,22)9-30-25(37)14-5-13(33-23-11(28)7-31-34(14)23)24(36)29-6-10-2-3-15-12(4-10)32-16(35)8-38-15;27-10-6-30-33-13(24(36)29-8-25-16-19-17(25)21-18(25)20(16)26(19,21)37)4-12(32-22(10)33)23(35)28-5-9-1-2-14-11(3-9)31-15(34)7-38-14;27-10-6-30-33-13(25(36)29-8-26-20-17-16-18(20)22(26)19(16)21(17)26)4-12(32-23(10)33)24(35)28-5-9-1-2-14-11(3-9)31-15(34)7-37-14;1-14(25(38)33-7-5-32(2)6-8-33)29-24(37)19-10-18(31-22-16(26)12-28-34(19)22)23(36)27-11-15-3-4-20-17(9-15)30-21(35)13-39-20;1-12(22(35)29-14-9-32(10-14)41(2,38)39)28-24(37)18-6-17(31-21-15(25)8-27-33(18)21)23(36)26-7-13-3-4-19-16(5-13)30-20(34)11-40-19;1-12(22(35)29-14-9-32(2)10-14)28-24(37)18-6-17(31-21-15(25)8-27-33(18)21)23(36)26-7-13-3-4-19-16(5-13)30-20(34)11-38-19;1-13(24(36)31-4-6-37-7-5-31)28-23(35)18-9-17(30-21-15(25)11-27-32(18)21)22(34)26-10-14-2-3-19-16(8-14)29-20(33)12-38-19;;;;;/h2-5,7,17-22H,6,8-9H2,1H3,(H,30,40)(H,31,38)(H,32,39)(H,34,37);4-5,10-11,13,15,17H,6-9,12,14H2,1-3H3,(H,29,38)(H,31,39)(H,32,37);2-5,7,17-22,29H,6,8-9H2,1H3,(H,30,37)(H,31,38)(H,33,36);2*2-5,7,17-22H,6,8-9H2,1H3,(H,29,36)(H,30,37)(H,32,35);1-4,6,16-21,37H,5,7-8H2,(H,28,35)(H,29,36)(H,31,34);1-4,6,16-22H,5,7-8H2,(H,28,35)(H,29,36)(H,31,34);3-4,9-10,12,14H,5-8,11,13H2,1-2H3,(H,27,36)(H,29,37)(H,30,35);3-6,8,12,14H,7,9-11H2,1-2H3,(H,26,36)(H,28,37)(H,29,35)(H,30,34);3-6,8,12,14H,7,9-11H2,1-2H3,(H,26,36)(H,28,37)(H,29,35)(H,30,34);2-3,8-9,11,13H,4-7,10,12H2,1H3,(H,26,34)(H,28,35)(H,29,33);5*1H4/t;15-;;;;;;14-;2*12-;13-;;;;;/m.0.....0000...../s1.
What are the key properties of 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?
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 has a molecular weight of 5957.02 g/mol, XLogP of 8.51, 72 rotatable bonds, 38 hydrogen bond donors, and 91 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161303830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).