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

C195H155ClF8N66O21 — CID 159603363

IUPAC7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)cc3)nc3ccnn23)cc1.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(-c4ncn[nH]4)cc3)n3nccc3n2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(-c4ncn[nH]4)cc3)n3ncnc3n2)ccc1F.O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(-c3ncn[nH]3)cc2)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)NCc2ccc(-c3ncn[nH]3)cc2)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)NCc2ccc(-c3ncn[nH]3)cc2)n2ncnc2n1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(-c5ncn[nH]5)cc4)n4nccc4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(-c5ncn[nH]5)cc4)n4ncnc4n3)cc2N1
InChIInChI=1S/C26H21N9O4.C25H21FN8O2.C25H20N10O4.C24H18ClFN8O2.C24H18F2N8O2.C24H20FN9O2.C24H20FN5O3.C23H17F2N9O2/c36-23-13-39-21-6-3-16(9-18(21)33-23)12-27-25(37)19-10-20(35-22(32-19)7-8-31-35)26(38)28-11-15-1-4-17(5-2-15)24-29-14-30-34-24;1-15-10-17(4-7-19(15)26)13-27-24(35)20-11-21(34-22(32-20)8-9-31-34)25(36)28-12-16-2-5-18(6-3-16)23-29-14-30-33-23;36-21-11-39-20-6-3-15(7-17(20)32-21)10-26-23(37)18-8-19(35-25(33-18)29-13-31-35)24(38)27-9-14-1-4-16(5-2-14)22-28-12-30-34-22;25-17-9-15(3-6-18(17)26)12-27-23(35)19-10-20(34-21(32-19)7-8-31-34)24(36)28-11-14-1-4-16(5-2-14)22-29-13-30-33-22;25-17-6-3-15(9-18(17)26)12-27-23(35)19-10-20(34-21(32-19)7-8-31-34)24(36)28-11-14-1-4-16(5-2-14)22-29-13-30-33-22;1-14-8-16(4-7-18(14)25)11-26-22(35)19-9-20(34-24(32-19)29-13-31-34)23(36)27-10-15-2-5-17(6-3-15)21-28-12-30-33-21;1-15(31)18-6-2-16(3-7-18)14-27-24(33)21-12-20(29-22-10-11-28-30(21)22)23(32)26-13-17-4-8-19(25)9-5-17;24-16-6-3-14(7-17(16)25)10-26-21(35)18-8-19(34-23(32-18)29-12-31-34)22(36)27-9-13-1-4-15(5-2-13)20-28-11-30-33-20/h1-10,14H,11-13H2,(H,27,37)(H,28,38)(H,33,36)(H,29,30,34);2-11,14H,12-13H2,1H3,(H,27,35)(H,28,36)(H,29,30,33);1-8,12-13H,9-11H2,(H,26,37)(H,27,38)(H,32,36)(H,28,30,34);2*1-10,13H,11-12H2,(H,27,35)(H,28,36)(H,29,30,33);2-9,12-13H,10-11H2,1H3,(H,26,35)(H,27,36)(H,28,30,33);2-12H,13-14H2,1H3,(H,26,32)(H,27,33);1-8,11-12H,9-10H2,(H,26,35)(H,27,36)(H,28,30,33)
InChIKeyMLTSABFIKFHYGP-UHFFFAOYSA-N
MW3946.26 g/mol
LogP18.64
Rot. Bonds56

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

7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 159603363) has the molecular formula C195H155ClF8N66O21 and a molecular weight of 3946.26 g/mol. Its IUPAC name is 7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID159603363
Molecular FormulaC195H155ClF8N66O21
Molecular Weight3946.26 g/mol
Exact Mass3943.27
IUPAC Name7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)cc3)nc3ccnn23)cc1.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(-c4ncn[nH]4)cc3)n3nccc3n2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(-c4ncn[nH]4)cc3)n3ncnc3n2)ccc1F.O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(-c3ncn[nH]3)cc2)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)NCc2ccc(-c3ncn[nH]3)cc2)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)NCc2ccc(-c3ncn[nH]3)cc2)n2ncnc2n1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(-c5ncn[nH]5)cc4)n4nccc4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(-c5ncn[nH]5)cc4)n4ncnc4n3)cc2N1
InChIInChI=1S/C26H21N9O4.C25H21FN8O2.C25H20N10O4.C24H18ClFN8O2.C24H18F2N8O2.C24H20FN9O2.C24H20FN5O3.C23H17F2N9O2/c36-23-13-39-21-6-3-16(9-18(21)33-23)12-27-25(37)19-10-20(35-22(32-19)7-8-31-35)26(38)28-11-15-1-4-17(5-2-15)24-29-14-30-34-24;1-15-10-17(4-7-19(15)26)13-27-24(35)20-11-21(34-22(32-20)8-9-31-34)25(36)28-12-16-2-5-18(6-3-16)23-29-14-30-33-23;36-21-11-39-20-6-3-15(7-17(20)32-21)10-26-23(37)18-8-19(35-25(33-18)29-13-31-35)24(38)27-9-14-1-4-16(5-2-14)22-28-12-30-34-22;25-17-9-15(3-6-18(17)26)12-27-23(35)19-10-20(34-21(32-19)7-8-31-34)24(36)28-11-14-1-4-16(5-2-14)22-29-13-30-33-22;25-17-6-3-15(9-18(17)26)12-27-23(35)19-10-20(34-21(32-19)7-8-31-34)24(36)28-11-14-1-4-16(5-2-14)22-29-13-30-33-22;1-14-8-16(4-7-18(14)25)11-26-22(35)19-9-20(34-24(32-19)29-13-31-34)23(36)27-10-15-2-5-17(6-3-15)21-28-12-30-33-21;1-15(31)18-6-2-16(3-7-18)14-27-24(33)21-12-20(29-22-10-11-28-30(21)22)23(32)26-13-17-4-8-19(25)9-5-17;24-16-6-3-14(7-17(16)25)10-26-21(35)18-8-19(34-23(32-18)29-12-31-34)22(36)27-9-13-1-4-15(5-2-13)20-28-11-30-33-20/h1-10,14H,11-13H2,(H,27,37)(H,28,38)(H,33,36)(H,29,30,34);2-11,14H,12-13H2,1H3,(H,27,35)(H,28,36)(H,29,30,33);1-8,12-13H,9-11H2,(H,26,37)(H,27,38)(H,32,36)(H,28,30,34);2*1-10,13H,11-12H2,(H,27,35)(H,28,36)(H,29,30,33);2-9,12-13H,10-11H2,1H3,(H,26,35)(H,27,36)(H,28,30,33);2-12H,13-14H2,1H3,(H,26,32)(H,27,33);1-8,11-12H,9-10H2,(H,26,35)(H,27,36)(H,28,30,33)
InChIKeyMLTSABFIKFHYGP-UHFFFAOYSA-N
XLogP18.64
TPSA1130.51 Ų
H-Bond Donors25
H-Bond Acceptors62
Rotatable Bonds56
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003946.26
LogP ≤ 518.64
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1062

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

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What is the IUPAC name of 7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 159603363) is 7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)cc3)nc3ccnn23)cc1.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(-c4ncn[nH]4)cc3)n3nccc3n2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(-c4ncn[nH]4)cc3)n3ncnc3n2)ccc1F.O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(-c3ncn[nH]3)cc2)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)NCc2ccc(-c3ncn[nH]3)cc2)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)NCc2ccc(-c3ncn[nH]3)cc2)n2ncnc2n1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(-c5ncn[nH]5)cc4)n4nccc4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(-c5ncn[nH]5)cc4)n4ncnc4n3)cc2N1.
What is the InChIKey of 7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is MLTSABFIKFHYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N9O4.C25H21FN8O2.C25H20N10O4.C24H18ClFN8O2.C24H18F2N8O2.C24H20FN9O2.C24H20FN5O3.C23H17F2N9O2/c36-23-13-39-21-6-3-16(9-18(21)33-23)12-27-25(37)19-10-20(35-22(32-19)7-8-31-35)26(38)28-11-15-1-4-17(5-2-15)24-29-14-30-34-24;1-15-10-17(4-7-19(15)26)13-27-24(35)20-11-21(34-22(32-20)8-9-31-34)25(36)28-12-16-2-5-18(6-3-16)23-29-14-30-33-23;36-21-11-39-20-6-3-15(7-17(20)32-21)10-26-23(37)18-8-19(35-25(33-18)29-13-31-35)24(38)27-9-14-1-4-16(5-2-14)22-28-12-30-34-22;25-17-9-15(3-6-18(17)26)12-27-23(35)19-10-20(34-21(32-19)7-8-31-34)24(36)28-11-14-1-4-16(5-2-14)22-29-13-30-33-22;25-17-6-3-15(9-18(17)26)12-27-23(35)19-10-20(34-21(32-19)7-8-31-34)24(36)28-11-14-1-4-16(5-2-14)22-29-13-30-33-22;1-14-8-16(4-7-18(14)25)11-26-22(35)19-9-20(34-24(32-19)29-13-31-34)23(36)27-10-15-2-5-17(6-3-15)21-28-12-30-33-21;1-15(31)18-6-2-16(3-7-18)14-27-24(33)21-12-20(29-22-10-11-28-30(21)22)23(32)26-13-17-4-8-19(25)9-5-17;24-16-6-3-14(7-17(16)25)10-26-21(35)18-8-19(34-23(32-18)29-12-31-34)22(36)27-9-13-1-4-15(5-2-13)20-28-11-30-33-20/h1-10,14H,11-13H2,(H,27,37)(H,28,38)(H,33,36)(H,29,30,34);2-11,14H,12-13H2,1H3,(H,27,35)(H,28,36)(H,29,30,33);1-8,12-13H,9-11H2,(H,26,37)(H,27,38)(H,32,36)(H,28,30,34);2*1-10,13H,11-12H2,(H,27,35)(H,28,36)(H,29,30,33);2-9,12-13H,10-11H2,1H3,(H,26,35)(H,27,36)(H,28,30,33);2-12H,13-14H2,1H3,(H,26,32)(H,27,33);1-8,11-12H,9-10H2,(H,26,35)(H,27,36)(H,28,30,33).
What are the key properties of 7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 3946.26 g/mol, XLogP of 18.64, 56 rotatable bonds, 25 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 159603363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).