7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C198H167ClF9N47O29 — CID 157289626

IUPAC7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ncnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)nc3ncnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(F)c3)nc3ncnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)cc3)nc3ccnn23)cc1C.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ncnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc3ccnn23)cc1C.Cc1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)cc1
InChIInChI=1S/C26H22F3N5O3.C26H23FN6O4.C26H22N6O5.C25H22FN5O3.C25H21N7O5.C24H21FN6O3.C23H18ClFN6O3.C23H18F2N6O3/c1-15-10-18(6-7-20(15)16(2)35)14-31-25(37)22-12-21(33-23-8-9-32-34(22)23)24(36)30-13-17-4-3-5-19(11-17)26(27,28)29;1-14-3-6-17(7-4-14)15(2)30-26(36)21-10-20(32-24-18(27)12-29-33(21)24)25(35)28-11-16-5-8-22-19(9-16)31-23(34)13-37-22;1-15(33)18-5-2-16(3-6-18)12-28-26(36)21-11-20(30-23-8-9-29-32(21)23)25(35)27-13-17-4-7-22-19(10-17)31-24(34)14-37-22;1-15-11-18(5-8-20(15)16(2)32)14-28-25(34)22-12-21(30-23-9-10-29-31(22)23)24(33)27-13-17-3-6-19(26)7-4-17;1-14(33)17-5-2-15(3-6-17)10-27-24(36)20-9-19(31-25-28-13-29-32(20)25)23(35)26-11-16-4-7-21-18(8-16)30-22(34)12-37-21;1-14-9-17(5-8-19(14)25)12-26-22(33)20-10-21(31-24(30-20)28-13-29-31)23(34)27-11-16-3-6-18(7-4-16)15(2)32;1-13(32)16-5-2-14(3-6-16)10-27-22(34)20-9-19(30-23-28-12-29-31(20)23)21(33)26-11-15-4-7-18(25)17(24)8-15;1-13(32)16-5-2-14(3-6-16)10-27-22(34)20-9-19(30-23-28-12-29-31(20)23)21(33)26-11-15-4-7-17(24)18(25)8-15/h3-12H,13-14H2,1-2H3,(H,30,36)(H,31,37);3-10,12,15H,11,13H2,1-2H3,(H,28,35)(H,30,36)(H,31,34);2-11H,12-14H2,1H3,(H,27,35)(H,28,36)(H,31,34);3-12H,13-14H2,1-2H3,(H,27,33)(H,28,34);2-9,13H,10-12H2,1H3,(H,26,35)(H,27,36)(H,30,34);3-10,13H,11-12H2,1-2H3,(H,26,33)(H,27,34);2*2-9,12H,10-11H2,1H3,(H,26,33)(H,27,34)/t;15-;;;;;;/m.0....../s1
InChIKeyBAQMJCVQNNQWKR-ZWMZIBASSA-N
MW3875.25 g/mol
LogP22.01
Rot. Bonds55

About 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 157289626) has the molecular formula C198H167ClF9N47O29 and a molecular weight of 3875.25 g/mol. Its IUPAC name is 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID157289626
Molecular FormulaC198H167ClF9N47O29
Molecular Weight3875.25 g/mol
Exact Mass3872.26
IUPAC Name7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ncnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)nc3ncnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(F)c3)nc3ncnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)cc3)nc3ccnn23)cc1C.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ncnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc3ccnn23)cc1C.Cc1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)cc1
InChIInChI=1S/C26H22F3N5O3.C26H23FN6O4.C26H22N6O5.C25H22FN5O3.C25H21N7O5.C24H21FN6O3.C23H18ClFN6O3.C23H18F2N6O3/c1-15-10-18(6-7-20(15)16(2)35)14-31-25(37)22-12-21(33-23-8-9-32-34(22)23)24(36)30-13-17-4-3-5-19(11-17)26(27,28)29;1-14-3-6-17(7-4-14)15(2)30-26(36)21-10-20(32-24-18(27)12-29-33(21)24)25(35)28-11-16-5-8-22-19(9-16)31-23(34)13-37-22;1-15(33)18-5-2-16(3-6-18)12-28-26(36)21-11-20(30-23-8-9-29-32(21)23)25(35)27-13-17-4-7-22-19(10-17)31-24(34)14-37-22;1-15-11-18(5-8-20(15)16(2)32)14-28-25(34)22-12-21(30-23-9-10-29-31(22)23)24(33)27-13-17-3-6-19(26)7-4-17;1-14(33)17-5-2-15(3-6-17)10-27-24(36)20-9-19(31-25-28-13-29-32(20)25)23(35)26-11-16-4-7-21-18(8-16)30-22(34)12-37-21;1-14-9-17(5-8-19(14)25)12-26-22(33)20-10-21(31-24(30-20)28-13-29-31)23(34)27-11-16-3-6-18(7-4-16)15(2)32;1-13(32)16-5-2-14(3-6-16)10-27-22(34)20-9-19(30-23-28-12-29-31(20)23)21(33)26-11-15-4-7-18(25)17(24)8-15;1-13(32)16-5-2-14(3-6-16)10-27-22(34)20-9-19(30-23-28-12-29-31(20)23)21(33)26-11-15-4-7-17(24)18(25)8-15/h3-12H,13-14H2,1-2H3,(H,30,36)(H,31,37);3-10,12,15H,11,13H2,1-2H3,(H,28,35)(H,30,36)(H,31,34);2-11H,12-14H2,1H3,(H,27,35)(H,28,36)(H,31,34);3-12H,13-14H2,1-2H3,(H,27,33)(H,28,34);2-9,13H,10-12H2,1H3,(H,26,35)(H,27,36)(H,30,34);3-10,13H,11-12H2,1-2H3,(H,26,33)(H,27,34);2*2-9,12H,10-11H2,1H3,(H,26,33)(H,27,34)/t;15-;;;;;;/m.0....../s1
InChIKeyBAQMJCVQNNQWKR-ZWMZIBASSA-N
XLogP22.01
TPSA993.16 Ų
H-Bond Donors19
H-Bond Acceptors57
Rotatable Bonds55
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003875.25
LogP ≤ 522.01
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1057

Analyze 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 157289626) is 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ncnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)nc3ncnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(F)c3)nc3ncnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)cc3)nc3ccnn23)cc1C.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ncnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc3ccnn23)cc1C.Cc1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)cc1.
What is the InChIKey of 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is BAQMJCVQNNQWKR-ZWMZIBASSA-N. The full InChI is InChI=1S/C26H22F3N5O3.C26H23FN6O4.C26H22N6O5.C25H22FN5O3.C25H21N7O5.C24H21FN6O3.C23H18ClFN6O3.C23H18F2N6O3/c1-15-10-18(6-7-20(15)16(2)35)14-31-25(37)22-12-21(33-23-8-9-32-34(22)23)24(36)30-13-17-4-3-5-19(11-17)26(27,28)29;1-14-3-6-17(7-4-14)15(2)30-26(36)21-10-20(32-24-18(27)12-29-33(21)24)25(35)28-11-16-5-8-22-19(9-16)31-23(34)13-37-22;1-15(33)18-5-2-16(3-6-18)12-28-26(36)21-11-20(30-23-8-9-29-32(21)23)25(35)27-13-17-4-7-22-19(10-17)31-24(34)14-37-22;1-15-11-18(5-8-20(15)16(2)32)14-28-25(34)22-12-21(30-23-9-10-29-31(22)23)24(33)27-13-17-3-6-19(26)7-4-17;1-14(33)17-5-2-15(3-6-17)10-27-24(36)20-9-19(31-25-28-13-29-32(20)25)23(35)26-11-16-4-7-21-18(8-16)30-22(34)12-37-21;1-14-9-17(5-8-19(14)25)12-26-22(33)20-10-21(31-24(30-20)28-13-29-31)23(34)27-11-16-3-6-18(7-4-16)15(2)32;1-13(32)16-5-2-14(3-6-16)10-27-22(34)20-9-19(30-23-28-12-29-31(20)23)21(33)26-11-15-4-7-18(25)17(24)8-15;1-13(32)16-5-2-14(3-6-16)10-27-22(34)20-9-19(30-23-28-12-29-31(20)23)21(33)26-11-15-4-7-17(24)18(25)8-15/h3-12H,13-14H2,1-2H3,(H,30,36)(H,31,37);3-10,12,15H,11,13H2,1-2H3,(H,28,35)(H,30,36)(H,31,34);2-11H,12-14H2,1H3,(H,27,35)(H,28,36)(H,31,34);3-12H,13-14H2,1-2H3,(H,27,33)(H,28,34);2-9,13H,10-12H2,1H3,(H,26,35)(H,27,36)(H,30,34);3-10,13H,11-12H2,1-2H3,(H,26,33)(H,27,34);2*2-9,12H,10-11H2,1H3,(H,26,33)(H,27,34)/t;15-;;;;;;/m.0....../s1.
What are the key properties of 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 3875.25 g/mol, XLogP of 22.01, 55 rotatable bonds, 19 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 157289626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).