7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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

C223H179ClF13N63O28 — CID 160619109

IUPAC7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc3ccnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nc3ccnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)F)c3)nc3ccnn23)cc1.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(-c4ncn[nH]4)cc3)n3nccc3n2)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=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.C25H20F3N5O4.C25H20F3N5O3.C25H21F2N5O4.C25H21FN8O2.C25H20N10O4.C24H18ClFN8O2.C24H18F2N8O2.C24H20FN5O3/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(34)18-7-5-16(6-8-18)13-30-24(36)21-12-20(32-22-9-10-31-33(21)22)23(35)29-14-17-3-2-4-19(11-17)37-25(26,27)28;1-15(34)18-7-5-16(6-8-18)13-30-24(36)21-12-20(32-22-9-10-31-33(21)22)23(35)29-14-17-3-2-4-19(11-17)25(26,27)28;1-15(33)18-7-5-16(6-8-18)13-29-24(35)21-12-20(31-22-9-10-30-32(21)22)23(34)28-14-17-3-2-4-19(11-17)36-25(26)27;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;1-15(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/h1-10,14H,11-13H2,(H,27,37)(H,28,38)(H,33,36)(H,29,30,34);2-12H,13-14H2,1H3,(H,29,35)(H,30,36);2-12H,13-14H2,1H3,(H,29,35)(H,30,36);2-12,25H,13-14H2,1H3,(H,28,34)(H,29,35);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);2-12H,13-14H2,1H3,(H,26,32)(H,27,33)
InChIKeyRGLYCKCNEUFADJ-UHFFFAOYSA-N
MW4471.72 g/mol
LogP25.27
Rot. Bonds66

About 7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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 160619109) has the molecular formula C223H179ClF13N63O28 and a molecular weight of 4471.72 g/mol. Its IUPAC name is 7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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 CID160619109
Molecular FormulaC223H179ClF13N63O28
Molecular Weight4471.72 g/mol
Exact Mass4468.40
IUPAC Name7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc3ccnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nc3ccnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)F)c3)nc3ccnn23)cc1.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(-c4ncn[nH]4)cc3)n3nccc3n2)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=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.C25H20F3N5O4.C25H20F3N5O3.C25H21F2N5O4.C25H21FN8O2.C25H20N10O4.C24H18ClFN8O2.C24H18F2N8O2.C24H20FN5O3/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(34)18-7-5-16(6-8-18)13-30-24(36)21-12-20(32-22-9-10-31-33(21)22)23(35)29-14-17-3-2-4-19(11-17)37-25(26,27)28;1-15(34)18-7-5-16(6-8-18)13-30-24(36)21-12-20(32-22-9-10-31-33(21)22)23(35)29-14-17-3-2-4-19(11-17)25(26,27)28;1-15(33)18-7-5-16(6-8-18)13-29-24(35)21-12-20(31-22-9-10-30-32(21)22)23(34)28-14-17-3-2-4-19(11-17)36-25(26)27;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;1-15(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/h1-10,14H,11-13H2,(H,27,37)(H,28,38)(H,33,36)(H,29,30,34);2-12H,13-14H2,1H3,(H,29,35)(H,30,36);2-12H,13-14H2,1H3,(H,29,35)(H,30,36);2-12,25H,13-14H2,1H3,(H,28,34)(H,29,35);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);2-12H,13-14H2,1H3,(H,26,32)(H,27,33)
InChIKeyRGLYCKCNEUFADJ-UHFFFAOYSA-N
XLogP25.27
TPSA1179.65 Ų
H-Bond Donors25
H-Bond Acceptors66
Rotatable Bonds66
Heavy Atoms328
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004471.72
LogP ≤ 525.27
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1066

Analyze 7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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 160619109) is 7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc3ccnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nc3ccnn23)cc1.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)F)c3)nc3ccnn23)cc1.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(-c4ncn[nH]4)cc3)n3nccc3n2)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=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-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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 RGLYCKCNEUFADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N9O4.C25H20F3N5O4.C25H20F3N5O3.C25H21F2N5O4.C25H21FN8O2.C25H20N10O4.C24H18ClFN8O2.C24H18F2N8O2.C24H20FN5O3/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(34)18-7-5-16(6-8-18)13-30-24(36)21-12-20(32-22-9-10-31-33(21)22)23(35)29-14-17-3-2-4-19(11-17)37-25(26,27)28;1-15(34)18-7-5-16(6-8-18)13-30-24(36)21-12-20(32-22-9-10-31-33(21)22)23(35)29-14-17-3-2-4-19(11-17)25(26,27)28;1-15(33)18-7-5-16(6-8-18)13-29-24(35)21-12-20(31-22-9-10-30-32(21)22)23(34)28-14-17-3-2-4-19(11-17)36-25(26)27;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;1-15(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/h1-10,14H,11-13H2,(H,27,37)(H,28,38)(H,33,36)(H,29,30,34);2-12H,13-14H2,1H3,(H,29,35)(H,30,36);2-12H,13-14H2,1H3,(H,29,35)(H,30,36);2-12,25H,13-14H2,1H3,(H,28,34)(H,29,35);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);2-12H,13-14H2,1H3,(H,26,32)(H,27,33).
What are the key properties of 7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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 4471.72 g/mol, XLogP of 25.27, 66 rotatable bonds, 25 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[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;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]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-[(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-[(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 160619109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).