7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate

C358H346ClF25N72O54 — CID 157124869

About 7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate

7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate (PubChem CID 157124869) has the molecular formula C358H346ClF25N72O54 and a molecular weight of 7031.56 g/mol. Its IUPAC name is 7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate.

Molecular Properties

• Compound Name: 7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate
• PubChem CID: 157124869
• Molecular Formula: C358H346ClF25N72O54
• Molecular Weight: 7031.56 g/mol
• Exact Mass: 7026.58
• IUPAC Name: 7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate
• SMILES: C.C.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)F)c2)nc2ccnn12.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.CC(=O)C12CCC(C(C)NC(=O)c3cc(C(=O)NCc4ccc(F)cc4)nc4ccnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(Cl)c4)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)cc4)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)N(C(C)C)C(=O)CO5)nc4c(F)cnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)N(C)C(=O)CO5)nc4c(F)cnn34)(CC1)CC2.CCC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CCN1C(=O)COc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C(C)=O)(CC4)CC5)n4ncc(F)c4n3)cc21.COC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)F)c2)nc2ccnn12.COC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.O=C(NCc1ccc(F)cc1)c1cc(C(=O)NC23CCC(C(=O)O)(CC2)CC3)n2nccc2n1
• InChI: InChI=1S/C31H35FN6O5.C30H33FN6O5.C29H31FN6O5.C28H22F5N5O3.C28H23FN6O6.C28H23FN6O5.C27H20F5N5O3.C27H22F3N5O5.C27H22F3N5O4.C27H30FN5O3.C25H26ClFN6O3.C25H27FN6O3.C24H24FN5O4.2CH4/c1-18(2)37-23-12-20(4-5-25(23)43-16-26(37)40)14-33-28(41)22-13-24(38-27(36-22)21(32)15-35-38)29(42)34-17-30-6-9-31(10-7-30,11-8-30)19(3)39;1-3-36-22-12-19(4-5-24(22)42-16-25(36)39)14-32-27(40)21-13-23(37-26(35-21)20(31)15-34-37)28(41)33-17-29-6-9-30(10-7-29,11-8-29)18(2)38;1-17(37)29-8-5-28(6-9-29,7-10-29)16-32-27(40)22-12-20(34-25-19(30)14-33-36(22)25)26(39)31-13-18-3-4-23-21(11-18)35(2)24(38)15-41-23;1-2-16(39)27-20-17-21(27)19-22(27)18(20)26(17,19)9-35-25(41)15-6-14(37-23-13(30)8-36-38(15)23)24(40)34-7-10-3-4-12(29)11(5-10)28(31,32)33;1-40-26(39)28-20-17-21(28)19-22(28)18(20)27(17,19)9-31-25(38)14-5-13(34-23-11(29)7-32-35(14)23)24(37)30-6-10-2-3-15-12(4-10)33-16(36)8-41-15;1-10(36)28-21-18-22(28)20-23(28)19(21)27(18,20)9-31-26(39)15-5-14(34-24-12(29)7-32-35(15)24)25(38)30-6-11-2-3-16-13(4-11)33-17(37)8-40-16;1-9(38)26-19-16-20(26)18-21(26)17(19)25(16,18)8-34-24(40)15-5-14(36-22-13(29)7-35-37(15)22)23(39)33-6-10-2-3-12(28)11(4-10)27(30,31)32;1-39-24(38)27-19-16-20(27)18-21(27)17(19)26(16,18)9-32-23(37)13-7-12(34-15-4-5-33-35(13)15)22(36)31-8-10-2-3-11(28)14(6-10)40-25(29)30;1-10(36)27-20-17-21(27)19-22(27)18(20)26(17,19)9-32-24(38)14-7-13(34-16-4-5-33-35(14)16)23(37)31-8-11-2-3-12(28)15(6-11)39-25(29)30;1-17(26-8-11-27(12-9-26,13-10-26)18(2)34)31-25(36)22-15-21(32-23-7-14-30-33(22)23)24(35)29-16-19-3-5-20(28)6-4-19;1-15(34)25-7-4-24(5-8-25,6-9-25)13-29-22(36)20-11-19(32-23-30-14-31-33(20)23)21(35)28-12-16-2-3-18(27)17(26)10-16;1-16(33)25-9-6-24(7-10-25,8-11-25)14-28-22(35)20-12-19(31-23-29-15-30-32(20)23)21(34)27-13-17-2-4-18(26)5-3-17;25-16-3-1-15(2-4-16)14-26-20(31)17-13-18(30-19(28-17)5-12-27-30)21(32)29-24-9-6-23(7-10-24,8-11-24)22(33)34;;/h4-5,12-13,15,18H,6-11,14,16-17H2,1-3H3,(H,33,41)(H,34,42);4-5,12-13,15H,3,6-11,14,16-17H2,1-2H3,(H,32,40)(H,33,41);3-4,11-12,14H,5-10,13,15-16H2,1-2H3,(H,31,39)(H,32,40);3-6,8,17-22H,2,7,9H2,1H3,(H,34,40)(H,35,41);2-5,7,17-22H,6,8-9H2,1H3,(H,30,37)(H,31,38)(H,33,36);2-5,7,18-23H,6,8-9H2,1H3,(H,30,38)(H,31,39)(H,33,37);2-5,7,16-21H,6,8H2,1H3,(H,33,39)(H,34,40);2-7,16-21,25H,8-9H2,1H3,(H,31,36)(H,32,37);2-7,17-22,25H,8-9H2,1H3,(H,31,37)(H,32,38);3-7,14-15,17H,8-13,16H2,1-2H3,(H,29,35)(H,31,36);2-3,10-11,14H,4-9,12-13H2,1H3,(H,28,35)(H,29,36);2-5,12,15H,6-11,13-14H2,1H3,(H,27,34)(H,28,35);1-5,12-13H,6-11,14H2,(H,26,31)(H,29,32)(H,33,34);2*1H4
• InChIKey: AIJTZDUCBQPZLD-UHFFFAOYSA-N
• XLogP: 36.66
• TPSA: 1619.19 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 94
• Rotatable Bonds: 97
• Heavy Atoms: 510
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	7031.56
LogP ≤ 5	36.66
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	94

Frequently Asked Questions

What is the IUPAC name of 7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate?

The IUPAC name of 7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate (CID 157124869) is 7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate.

What is the SMILES notation for 7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate?

The canonical SMILES for 7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate is C.C.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)F)c2)nc2ccnn12.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.CC(=O)C12CCC(C(C)NC(=O)c3cc(C(=O)NCc4ccc(F)cc4)nc4ccnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(Cl)c4)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)cc4)nc4ncnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)N(C(C)C)C(=O)CO5)nc4c(F)cnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)N(C)C(=O)CO5)nc4c(F)cnn34)(CC1)CC2.CCC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CCN1C(=O)COc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C(C)=O)(CC4)CC5)n4ncc(F)c4n3)cc21.COC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)F)c2)nc2ccnn12.COC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.O=C(NCc1ccc(F)cc1)c1cc(C(=O)NC23CCC(C(=O)O)(CC2)CC3)n2nccc2n1.

What is the InChIKey of 7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate?

The InChIKey is AIJTZDUCBQPZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN6O5.C30H33FN6O5.C29H31FN6O5.C28H22F5N5O3.C28H23FN6O6.C28H23FN6O5.C27H20F5N5O3.C27H22F3N5O5.C27H22F3N5O4.C27H30FN5O3.C25H26ClFN6O3.C25H27FN6O3.C24H24FN5O4.2CH4/c1-18(2)37-23-12-20(4-5-25(23)43-16-26(37)40)14-33-28(41)22-13-24(38-27(36-22)21(32)15-35-38)29(42)34-17-30-6-9-31(10-7-30,11-8-30)19(3)39;1-3-36-22-12-19(4-5-24(22)42-16-25(36)39)14-32-27(40)21-13-23(37-26(35-21)20(31)15-34-37)28(41)33-17-29-6-9-30(10-7-29,11-8-29)18(2)38;1-17(37)29-8-5-28(6-9-29,7-10-29)16-32-27(40)22-12-20(34-25-19(30)14-33-36(22)25)26(39)31-13-18-3-4-23-21(11-18)35(2)24(38)15-41-23;1-2-16(39)27-20-17-21(27)19-22(27)18(20)26(17,19)9-35-25(41)15-6-14(37-23-13(30)8-36-38(15)23)24(40)34-7-10-3-4-12(29)11(5-10)28(31,32)33;1-40-26(39)28-20-17-21(28)19-22(28)18(20)27(17,19)9-31-25(38)14-5-13(34-23-11(29)7-32-35(14)23)24(37)30-6-10-2-3-15-12(4-10)33-16(36)8-41-15;1-10(36)28-21-18-22(28)20-23(28)19(21)27(18,20)9-31-26(39)15-5-14(34-24-12(29)7-32-35(15)24)25(38)30-6-11-2-3-16-13(4-11)33-17(37)8-40-16;1-9(38)26-19-16-20(26)18-21(26)17(19)25(16,18)8-34-24(40)15-5-14(36-22-13(29)7-35-37(15)22)23(39)33-6-10-2-3-12(28)11(4-10)27(30,31)32;1-39-24(38)27-19-16-20(27)18-21(27)17(19)26(16,18)9-32-23(37)13-7-12(34-15-4-5-33-35(13)15)22(36)31-8-10-2-3-11(28)14(6-10)40-25(29)30;1-10(36)27-20-17-21(27)19-22(27)18(20)26(17,19)9-32-24(38)14-7-13(34-16-4-5-33-35(14)16)23(37)31-8-11-2-3-12(28)15(6-11)39-25(29)30;1-17(26-8-11-27(12-9-26,13-10-26)18(2)34)31-25(36)22-15-21(32-23-7-14-30-33(22)23)24(35)29-16-19-3-5-20(28)6-4-19;1-15(34)25-7-4-24(5-8-25,6-9-25)13-29-22(36)20-11-19(32-23-30-14-31-33(20)23)21(35)28-12-16-2-3-18(27)17(26)10-16;1-16(33)25-9-6-24(7-10-25,8-11-25)14-28-22(35)20-12-19(31-23-29-15-30-32(20)23)21(34)27-13-17-2-4-18(26)5-3-17;25-16-3-1-15(2-4-16)14-26-20(31)17-13-18(30-19(28-17)5-12-27-30)21(32)29-24-9-6-23(7-10-24,8-11-24)22(33)34;;/h4-5,12-13,15,18H,6-11,14,16-17H2,1-3H3,(H,33,41)(H,34,42);4-5,12-13,15H,3,6-11,14,16-17H2,1-2H3,(H,32,40)(H,33,41);3-4,11-12,14H,5-10,13,15-16H2,1-2H3,(H,31,39)(H,32,40);3-6,8,17-22H,2,7,9H2,1H3,(H,34,40)(H,35,41);2-5,7,17-22H,6,8-9H2,1H3,(H,30,37)(H,31,38)(H,33,36);2-5,7,18-23H,6,8-9H2,1H3,(H,30,38)(H,31,39)(H,33,37);2-5,7,16-21H,6,8H2,1H3,(H,33,39)(H,34,40);2-7,16-21,25H,8-9H2,1H3,(H,31,36)(H,32,37);2-7,17-22,25H,8-9H2,1H3,(H,31,37)(H,32,38);3-7,14-15,17H,8-13,16H2,1-2H3,(H,29,35)(H,31,36);2-3,10-11,14H,4-9,12-13H2,1H3,(H,28,35)(H,29,36);2-5,12,15H,6-11,13-14H2,1H3,(H,27,34)(H,28,35);1-5,12-13H,6-11,14H2,(H,26,31)(H,29,32)(H,33,34);2*1H4.

What are the key properties of 7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate?

7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate has a molecular weight of 7031.56 g/mol, XLogP of 36.66, 97 rotatable bonds, 29 hydrogen bond donors, and 94 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;methane;methyl 4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate is sourced from PubChem (CID 157124869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).