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

C205H165ClF11N51O24 — CID 158621995

IUPAC7-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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-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.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C4=NN=CC4)cc3)n3nccc3n2)ccc1F.O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(C3=NN=CC3)cc2)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)NCc2ccc(C3=NN=CC3)cc2)n2nccc2n1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C5=NN=CC5)cc4)n4nccc4n3)cc2C1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C5=NN=CC5)cc4)n4ncnc4n3)cc2C1
InChIInChI=1S/C28H23N7O4.C27H22N8O4.C26H22FN7O2.C25H19ClFN7O2.C25H20F3N5O4.C25H20F3N5O3.C25H19F2N7O2.C24H20FN5O3/c36-21-12-20-11-18(3-6-25(20)39-16-21)15-29-27(37)23-13-24(35-26(33-23)8-10-32-35)28(38)30-14-17-1-4-19(5-2-17)22-7-9-31-34-22;36-20-10-19-9-17(3-6-24(19)39-14-20)13-28-25(37)22-11-23(35-27(33-22)30-15-32-35)26(38)29-12-16-1-4-18(5-2-16)21-7-8-31-34-21;1-16-12-18(4-7-20(16)27)15-28-25(35)22-13-23(34-24(32-22)9-11-31-34)26(36)29-14-17-2-5-19(6-3-17)21-8-10-30-33-21;26-18-11-16(3-6-19(18)27)14-28-24(35)21-12-22(34-23(32-21)8-10-31-34)25(36)29-13-15-1-4-17(5-2-15)20-7-9-30-33-20;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;26-18-6-3-16(11-19(18)27)14-28-24(35)21-12-22(34-23(32-21)8-10-31-34)25(36)29-13-15-1-4-17(5-2-15)20-7-9-30-33-20;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/h1-6,8-11,13H,7,12,14-16H2,(H,29,37)(H,30,38);1-6,8-9,11,15H,7,10,12-14H2,(H,28,37)(H,29,38);2-7,9-13H,8,14-15H2,1H3,(H,28,35)(H,29,36);1-6,8-12H,7,13-14H2,(H,28,35)(H,29,36);2-12H,13-14H2,1H3,(H,29,35)(H,30,36);2-12H,13-14H2,1H3,(H,29,35)(H,30,36);1-6,8-12H,7,13-14H2,(H,28,35)(H,29,36);2-12H,13-14H2,1H3,(H,26,32)(H,27,33)
InChIKeyHYCQXBAZEUVQBF-UHFFFAOYSA-N
MW3971.34 g/mol
LogP24.19
Rot. Bonds57

About 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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-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;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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 158621995) has the molecular formula C205H165ClF11N51O24 and a molecular weight of 3971.34 g/mol. Its IUPAC name is 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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-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;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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID158621995
Molecular FormulaC205H165ClF11N51O24
Molecular Weight3971.34 g/mol
Exact Mass3968.28
IUPAC Name7-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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-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.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C4=NN=CC4)cc3)n3nccc3n2)ccc1F.O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(C3=NN=CC3)cc2)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)NCc2ccc(C3=NN=CC3)cc2)n2nccc2n1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C5=NN=CC5)cc4)n4nccc4n3)cc2C1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C5=NN=CC5)cc4)n4ncnc4n3)cc2C1
InChIInChI=1S/C28H23N7O4.C27H22N8O4.C26H22FN7O2.C25H19ClFN7O2.C25H20F3N5O4.C25H20F3N5O3.C25H19F2N7O2.C24H20FN5O3/c36-21-12-20-11-18(3-6-25(20)39-16-21)15-29-27(37)23-13-24(35-26(33-23)8-10-32-35)28(38)30-14-17-1-4-19(5-2-17)22-7-9-31-34-22;36-20-10-19-9-17(3-6-24(19)39-14-20)13-28-25(37)22-11-23(35-27(33-22)30-15-32-35)26(38)29-12-16-1-4-18(5-2-16)21-7-8-31-34-21;1-16-12-18(4-7-20(16)27)15-28-25(35)22-13-23(34-24(32-22)9-11-31-34)26(36)29-14-17-2-5-19(6-3-17)21-8-10-30-33-21;26-18-11-16(3-6-19(18)27)14-28-24(35)21-12-22(34-23(32-21)8-10-31-34)25(36)29-13-15-1-4-17(5-2-15)20-7-9-30-33-20;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;26-18-6-3-16(11-19(18)27)14-28-24(35)21-12-22(34-23(32-21)8-10-31-34)25(36)29-13-15-1-4-17(5-2-15)20-7-9-30-33-20;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/h1-6,8-11,13H,7,12,14-16H2,(H,29,37)(H,30,38);1-6,8-9,11,15H,7,10,12-14H2,(H,28,37)(H,29,38);2-7,9-13H,8,14-15H2,1H3,(H,28,35)(H,29,36);1-6,8-12H,7,13-14H2,(H,28,35)(H,29,36);2-12H,13-14H2,1H3,(H,29,35)(H,30,36);2-12H,13-14H2,1H3,(H,29,35)(H,30,36);1-6,8-12H,7,13-14H2,(H,28,35)(H,29,36);2-12H,13-14H2,1H3,(H,26,32)(H,27,33)
InChIKeyHYCQXBAZEUVQBF-UHFFFAOYSA-N
XLogP24.19
TPSA956.65 Ų
H-Bond Donors16
H-Bond Acceptors59
Rotatable Bonds57
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003971.34
LogP ≤ 524.19
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1059

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

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Frequently Asked Questions

What is the IUPAC name of 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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-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;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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 158621995) is 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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-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;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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-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;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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-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.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C4=NN=CC4)cc3)n3nccc3n2)ccc1F.O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(C3=NN=CC3)cc2)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)NCc2ccc(C3=NN=CC3)cc2)n2nccc2n1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C5=NN=CC5)cc4)n4nccc4n3)cc2C1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C5=NN=CC5)cc4)n4ncnc4n3)cc2C1.
What is the InChIKey of 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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is HYCQXBAZEUVQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O4.C27H22N8O4.C26H22FN7O2.C25H19ClFN7O2.C25H20F3N5O4.C25H20F3N5O3.C25H19F2N7O2.C24H20FN5O3/c36-21-12-20-11-18(3-6-25(20)39-16-21)15-29-27(37)23-13-24(35-26(33-23)8-10-32-35)28(38)30-14-17-1-4-19(5-2-17)22-7-9-31-34-22;36-20-10-19-9-17(3-6-24(19)39-14-20)13-28-25(37)22-11-23(35-27(33-22)30-15-32-35)26(38)29-12-16-1-4-18(5-2-16)21-7-8-31-34-21;1-16-12-18(4-7-20(16)27)15-28-25(35)22-13-23(34-24(32-22)9-11-31-34)26(36)29-14-17-2-5-19(6-3-17)21-8-10-30-33-21;26-18-11-16(3-6-19(18)27)14-28-24(35)21-12-22(34-23(32-21)8-10-31-34)25(36)29-13-15-1-4-17(5-2-15)20-7-9-30-33-20;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;26-18-6-3-16(11-19(18)27)14-28-24(35)21-12-22(34-23(32-21)8-10-31-34)25(36)29-13-15-1-4-17(5-2-15)20-7-9-30-33-20;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/h1-6,8-11,13H,7,12,14-16H2,(H,29,37)(H,30,38);1-6,8-9,11,15H,7,10,12-14H2,(H,28,37)(H,29,38);2-7,9-13H,8,14-15H2,1H3,(H,28,35)(H,29,36);1-6,8-12H,7,13-14H2,(H,28,35)(H,29,36);2-12H,13-14H2,1H3,(H,29,35)(H,30,36);2-12H,13-14H2,1H3,(H,29,35)(H,30,36);1-6,8-12H,7,13-14H2,(H,28,35)(H,29,36);2-12H,13-14H2,1H3,(H,26,32)(H,27,33).
What are the key properties of 7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-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;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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 3971.34 g/mol, XLogP of 24.19, 57 rotatable bonds, 16 hydrogen bond donors, and 59 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;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-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 158621995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).