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-[(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-chromen-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;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-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate

C220H195F20N41O32 — CID 161431475

IUPAC7-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-[(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-chromen-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;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-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate
SMILESC.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)CC(=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)cc4)nc4ncnn34)(CC1)CC2.CCC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.COC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)F)c2)nc2ccnn12.COC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2c(F)cnn12
InChIInChI=1S/C29H24FN5O6.C29H24FN5O5.C28H22F5N5O3.C27H20F5N5O3.C27H22F3N5O5.C27H22F3N5O4.C27H30FN5O3.C25H27FN6O3.CH4/c1-40-27(39)29-21-18-22(29)20-23(29)19(21)28(18,20)10-32-26(38)16-6-15(34-24-14(30)8-33-35(16)24)25(37)31-7-11-2-3-17-12(4-11)5-13(36)9-41-17;1-11(36)29-22-19-23(29)21-24(29)20(22)28(19,21)10-32-27(39)17-6-16(34-25-15(30)8-33-35(17)25)26(38)31-7-12-2-3-18-13(4-12)5-14(37)9-40-18;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;1-9(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;1-16(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;/h2-4,6,8,18-23H,5,7,9-10H2,1H3,(H,31,37)(H,32,38);2-4,6,8,19-24H,5,7,9-10H2,1H3,(H,31,38)(H,32,39);3-6,8,17-22H,2,7,9H2,1H3,(H,34,40)(H,35,41);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);2-5,12,15H,6-11,13-14H2,1H3,(H,27,34)(H,28,35);1H4
InChIKeyVYBMRAZRSCAOKR-UHFFFAOYSA-N
MW4305.19 g/mol
LogP20.55
Rot. Bonds61

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-[(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-chromen-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;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-chromen-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-[(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-chromen-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;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-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate (PubChem CID 161431475) has the molecular formula C220H195F20N41O32 and a molecular weight of 4305.19 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-[(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-chromen-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;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-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate.

Molecular Properties

Compound Name7-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-[(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-chromen-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;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-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate
PubChem CID161431475
Molecular FormulaC220H195F20N41O32
Molecular Weight4305.19 g/mol
Exact Mass4302.46
IUPAC Name7-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-[(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-chromen-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;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-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate
SMILESC.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)CC(=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)cc4)nc4ncnn34)(CC1)CC2.CCC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.COC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)F)c2)nc2ccnn12.COC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2c(F)cnn12
InChIInChI=1S/C29H24FN5O6.C29H24FN5O5.C28H22F5N5O3.C27H20F5N5O3.C27H22F3N5O5.C27H22F3N5O4.C27H30FN5O3.C25H27FN6O3.CH4/c1-40-27(39)29-21-18-22(29)20-23(29)19(21)28(18,20)10-32-26(38)16-6-15(34-24-14(30)8-33-35(16)24)25(37)31-7-11-2-3-17-12(4-11)5-13(36)9-41-17;1-11(36)29-22-19-23(29)21-24(29)20(22)28(19,21)10-32-27(39)17-6-16(34-25-15(30)8-33-35(17)25)26(38)31-7-12-2-3-18-13(4-12)5-14(37)9-40-18;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;1-9(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;1-16(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;/h2-4,6,8,18-23H,5,7,9-10H2,1H3,(H,31,37)(H,32,38);2-4,6,8,19-24H,5,7,9-10H2,1H3,(H,31,38)(H,32,39);3-6,8,17-22H,2,7,9H2,1H3,(H,34,40)(H,35,41);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);2-5,12,15H,6-11,13-14H2,1H3,(H,27,34)(H,28,35);1H4
InChIKeyVYBMRAZRSCAOKR-UHFFFAOYSA-N
XLogP20.55
TPSA946.09 Ų
H-Bond Donors16
H-Bond Acceptors57
Rotatable Bonds61
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004305.19
LogP ≤ 520.55
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1057

Analyze 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-[(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-chromen-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;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-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate with MolForge

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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-[(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-chromen-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;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-chromen-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-[(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-chromen-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;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-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate (CID 161431475) 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-[(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-chromen-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;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-chromen-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-[(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-chromen-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;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-chromen-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-[(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-chromen-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;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-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate is 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)CC(=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)cc4)nc4ncnn34)(CC1)CC2.CCC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.COC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)F)c2)nc2ccnn12.COC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2c(F)cnn12.
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-[(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-chromen-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;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-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate?
The InChIKey is VYBMRAZRSCAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O6.C29H24FN5O5.C28H22F5N5O3.C27H20F5N5O3.C27H22F3N5O5.C27H22F3N5O4.C27H30FN5O3.C25H27FN6O3.CH4/c1-40-27(39)29-21-18-22(29)20-23(29)19(21)28(18,20)10-32-26(38)16-6-15(34-24-14(30)8-33-35(16)24)25(37)31-7-11-2-3-17-12(4-11)5-13(36)9-41-17;1-11(36)29-22-19-23(29)21-24(29)20(22)28(19,21)10-32-27(39)17-6-16(34-25-15(30)8-33-35(17)25)26(38)31-7-12-2-3-18-13(4-12)5-14(37)9-40-18;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;1-9(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;1-16(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;/h2-4,6,8,18-23H,5,7,9-10H2,1H3,(H,31,37)(H,32,38);2-4,6,8,19-24H,5,7,9-10H2,1H3,(H,31,38)(H,32,39);3-6,8,17-22H,2,7,9H2,1H3,(H,34,40)(H,35,41);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);2-5,12,15H,6-11,13-14H2,1H3,(H,27,34)(H,28,35);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-[(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-chromen-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;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-chromen-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-[(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-chromen-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;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-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate has a molecular weight of 4305.19 g/mol, XLogP of 20.55, 61 rotatable bonds, 16 hydrogen bond donors, and 57 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-[(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-chromen-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;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-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate is sourced from PubChem (CID 161431475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).