7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C192H166FN43O36S2 — CID 158769048

IUPAC7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC1(F)Oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)CC(=O)O5)nc4ccnn34)cc2O1.CS(=O)(=O)N1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)O4)nc3ccnn23)CC1.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)O4)nc3ccnn23)ccn1.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)O4)nc3ccnn23)cc1C.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)O4)nc3ccnn23)s1.O=C1Cc2cc(CNC(=O)c3cc(C(=O)NCC4CCC4)n4nccc4n3)ccc2O1.O=C1Cc2cc(CNC(=O)c3cc(C(=O)NCc4ccccc4)n4nccc4n3)ccc2O1.O=C1Cc2cc(CNC(=O)c3cc(C(=O)NCc4ccccn4)n4nccc4n3)ccc2O1
InChIInChI=1S/C26H20FN5O6.C26H23N5O4.C24H26N6O6S.C24H20N6O4.C24H19N5O4.C23H18N6O4.C23H19N5O4S.C22H21N5O4/c1-26(27)37-20-5-3-15(9-21(20)38-26)13-29-25(35)18-11-17(31-22-6-7-30-32(18)22)24(34)28-12-14-2-4-19-16(8-14)10-23(33)36-19;1-15-3-4-17(9-16(15)2)13-28-26(34)21-12-20(30-23-7-8-29-31(21)23)25(33)27-14-18-5-6-22-19(10-18)11-24(32)35-22;1-37(34,35)29-8-5-15(6-9-29)13-26-24(33)19-12-18(28-21-4-7-27-30(19)21)23(32)25-14-16-2-3-20-17(10-16)11-22(31)36-20;1-14-8-16(4-6-25-14)13-27-24(33)19-11-18(29-21-5-7-28-30(19)21)23(32)26-12-15-2-3-20-17(9-15)10-22(31)34-20;30-22-11-17-10-16(6-7-20(17)33-22)14-25-23(31)18-12-19(29-21(28-18)8-9-27-29)24(32)26-13-15-4-2-1-3-5-15;30-21-10-15-9-14(4-5-19(15)33-21)12-25-22(31)17-11-18(29-20(28-17)6-8-27-29)23(32)26-13-16-3-1-2-7-24-16;1-13-2-4-16(33-13)12-25-23(31)18-10-17(27-20-6-7-26-28(18)20)22(30)24-11-14-3-5-19-15(8-14)9-21(29)32-19;28-20-9-15-8-14(4-5-18(15)31-20)12-23-21(29)16-10-17(27-19(26-16)6-7-25-27)22(30)24-11-13-2-1-3-13/h2-9,11H,10,12-13H2,1H3,(H,28,34)(H,29,35);3-10,12H,11,13-14H2,1-2H3,(H,27,33)(H,28,34);2-4,7,10,12,15H,5-6,8-9,11,13-14H2,1H3,(H,25,32)(H,26,33);2-9,11H,10,12-13H2,1H3,(H,26,32)(H,27,33);1-10,12H,11,13-14H2,(H,25,31)(H,26,32);1-9,11H,10,12-13H2,(H,25,31)(H,26,32);2-8,10H,9,11-12H2,1H3,(H,24,30)(H,25,31);4-8,10,13H,1-3,9,11-12H2,(H,23,29)(H,24,30)
InChIKeyIPQDIPMANKGQGQ-UHFFFAOYSA-N
MW3734.84 g/mol
LogP14.98
Rot. Bonds49

About 7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 158769048) has the molecular formula C192H166FN43O36S2 and a molecular weight of 3734.84 g/mol. Its IUPAC name is 7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID158769048
Molecular FormulaC192H166FN43O36S2
Molecular Weight3734.84 g/mol
Exact Mass3732.19
IUPAC Name7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC1(F)Oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)CC(=O)O5)nc4ccnn34)cc2O1.CS(=O)(=O)N1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)O4)nc3ccnn23)CC1.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)O4)nc3ccnn23)ccn1.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)O4)nc3ccnn23)cc1C.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)O4)nc3ccnn23)s1.O=C1Cc2cc(CNC(=O)c3cc(C(=O)NCC4CCC4)n4nccc4n3)ccc2O1.O=C1Cc2cc(CNC(=O)c3cc(C(=O)NCc4ccccc4)n4nccc4n3)ccc2O1.O=C1Cc2cc(CNC(=O)c3cc(C(=O)NCc4ccccn4)n4nccc4n3)ccc2O1
InChIInChI=1S/C26H20FN5O6.C26H23N5O4.C24H26N6O6S.C24H20N6O4.C24H19N5O4.C23H18N6O4.C23H19N5O4S.C22H21N5O4/c1-26(27)37-20-5-3-15(9-21(20)38-26)13-29-25(35)18-11-17(31-22-6-7-30-32(18)22)24(34)28-12-14-2-4-19-16(8-14)10-23(33)36-19;1-15-3-4-17(9-16(15)2)13-28-26(34)21-12-20(30-23-7-8-29-31(21)23)25(33)27-14-18-5-6-22-19(10-18)11-24(32)35-22;1-37(34,35)29-8-5-15(6-9-29)13-26-24(33)19-12-18(28-21-4-7-27-30(19)21)23(32)25-14-16-2-3-20-17(10-16)11-22(31)36-20;1-14-8-16(4-6-25-14)13-27-24(33)19-11-18(29-21-5-7-28-30(19)21)23(32)26-12-15-2-3-20-17(9-15)10-22(31)34-20;30-22-11-17-10-16(6-7-20(17)33-22)14-25-23(31)18-12-19(29-21(28-18)8-9-27-29)24(32)26-13-15-4-2-1-3-5-15;30-21-10-15-9-14(4-5-19(15)33-21)12-25-22(31)17-11-18(29-20(28-17)6-8-27-29)23(32)26-13-16-3-1-2-7-24-16;1-13-2-4-16(33-13)12-25-23(31)18-10-17(27-20-6-7-26-28(18)20)22(30)24-11-14-3-5-19-15(8-14)9-21(29)32-19;28-20-9-15-8-14(4-5-18(15)31-20)12-23-21(29)16-10-17(27-19(26-16)6-7-25-27)22(30)24-11-13-2-1-3-13/h2-9,11H,10,12-13H2,1H3,(H,28,34)(H,29,35);3-10,12H,11,13-14H2,1-2H3,(H,27,33)(H,28,34);2-4,7,10,12,15H,5-6,8-9,11,13-14H2,1H3,(H,25,32)(H,26,33);2-9,11H,10,12-13H2,1H3,(H,26,32)(H,27,33);1-10,12H,11,13-14H2,(H,25,31)(H,26,32);1-9,11H,10,12-13H2,(H,25,31)(H,26,32);2-8,10H,9,11-12H2,1H3,(H,24,30)(H,25,31);4-8,10,13H,1-3,9,11-12H2,(H,23,29)(H,24,30)
InChIKeyIPQDIPMANKGQGQ-UHFFFAOYSA-N
XLogP14.98
TPSA999.14 Ų
H-Bond Donors16
H-Bond Acceptors63
Rotatable Bonds49
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003734.84
LogP ≤ 514.98
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 158769048) is 7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC1(F)Oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)CC(=O)O5)nc4ccnn34)cc2O1.CS(=O)(=O)N1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)O4)nc3ccnn23)CC1.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)O4)nc3ccnn23)ccn1.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)O4)nc3ccnn23)cc1C.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)O4)nc3ccnn23)s1.O=C1Cc2cc(CNC(=O)c3cc(C(=O)NCC4CCC4)n4nccc4n3)ccc2O1.O=C1Cc2cc(CNC(=O)c3cc(C(=O)NCc4ccccc4)n4nccc4n3)ccc2O1.O=C1Cc2cc(CNC(=O)c3cc(C(=O)NCc4ccccn4)n4nccc4n3)ccc2O1.
What is the InChIKey of 7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is IPQDIPMANKGQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O6.C26H23N5O4.C24H26N6O6S.C24H20N6O4.C24H19N5O4.C23H18N6O4.C23H19N5O4S.C22H21N5O4/c1-26(27)37-20-5-3-15(9-21(20)38-26)13-29-25(35)18-11-17(31-22-6-7-30-32(18)22)24(34)28-12-14-2-4-19-16(8-14)10-23(33)36-19;1-15-3-4-17(9-16(15)2)13-28-26(34)21-12-20(30-23-7-8-29-31(21)23)25(33)27-14-18-5-6-22-19(10-18)11-24(32)35-22;1-37(34,35)29-8-5-15(6-9-29)13-26-24(33)19-12-18(28-21-4-7-27-30(19)21)23(32)25-14-16-2-3-20-17(10-16)11-22(31)36-20;1-14-8-16(4-6-25-14)13-27-24(33)19-11-18(29-21-5-7-28-30(19)21)23(32)26-12-15-2-3-20-17(9-15)10-22(31)34-20;30-22-11-17-10-16(6-7-20(17)33-22)14-25-23(31)18-12-19(29-21(28-18)8-9-27-29)24(32)26-13-15-4-2-1-3-5-15;30-21-10-15-9-14(4-5-19(15)33-21)12-25-22(31)17-11-18(29-20(28-17)6-8-27-29)23(32)26-13-16-3-1-2-7-24-16;1-13-2-4-16(33-13)12-25-23(31)18-10-17(27-20-6-7-26-28(18)20)22(30)24-11-14-3-5-19-15(8-14)9-21(29)32-19;28-20-9-15-8-14(4-5-18(15)31-20)12-23-21(29)16-10-17(27-19(26-16)6-7-25-27)22(30)24-11-13-2-1-3-13/h2-9,11H,10,12-13H2,1H3,(H,28,34)(H,29,35);3-10,12H,11,13-14H2,1-2H3,(H,27,33)(H,28,34);2-4,7,10,12,15H,5-6,8-9,11,13-14H2,1H3,(H,25,32)(H,26,33);2-9,11H,10,12-13H2,1H3,(H,26,32)(H,27,33);1-10,12H,11,13-14H2,(H,25,31)(H,26,32);1-9,11H,10,12-13H2,(H,25,31)(H,26,32);2-8,10H,9,11-12H2,1H3,(H,24,30)(H,25,31);4-8,10,13H,1-3,9,11-12H2,(H,23,29)(H,24,30).
What are the key properties of 7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 3734.84 g/mol, XLogP of 14.98, 49 rotatable bonds, 16 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-benzyl-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 158769048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).