7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C179H160N54O34S2 — CID 158235566

IUPAC7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCN1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3ccnn23)CC1.CS(=O)(=O)N1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3ccnn23)CC1.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3ccnn23)cc1C.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3ccnn23)s1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCC2CCC2)n2nccc2n1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2ccccc2)n2nccc2n1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2cnccn2)n2nccc2n1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2ncccn2)n2nccc2n1
InChIInChI=1S/C25H22N6O4.C23H25N7O6S.C23H25N7O4.C23H18N6O4.C22H18N6O4S.2C21H16N8O4.C21H20N6O4/c1-14-3-4-16(9-15(14)2)12-27-24(33)20-11-19(29-22-7-8-28-31(20)22)23(32)26-13-17-5-6-21-18(10-17)30-25(34)35-21;1-37(34,35)29-8-5-14(6-9-29)12-25-22(32)18-11-17(27-20-4-7-26-30(18)20)21(31)24-13-15-2-3-19-16(10-15)28-23(33)36-19;1-29-8-5-14(6-9-29)12-25-22(32)18-11-17(27-20-4-7-26-30(18)20)21(31)24-13-15-2-3-19-16(10-15)28-23(33)34-19;30-21(24-13-15-6-7-19-16(10-15)28-23(32)33-19)17-11-18(29-20(27-17)8-9-26-29)22(31)25-12-14-4-2-1-3-5-14;1-12-2-4-14(33-12)11-24-21(30)17-9-16(26-19-6-7-25-28(17)19)20(29)23-10-13-3-5-18-15(8-13)27-22(31)32-18;30-19(24-10-12-2-3-16-13(8-12)28-21(32)33-16)14-9-15(29-18(27-14)4-7-26-29)20(31)25-11-17-22-5-1-6-23-17;30-19(24-9-12-1-2-17-14(7-12)28-21(32)33-17)15-8-16(29-18(27-15)3-4-26-29)20(31)25-11-13-10-22-5-6-23-13;28-19(22-11-13-4-5-17-14(8-13)26-21(30)31-17)15-9-16(27-18(25-15)6-7-24-27)20(29)23-10-12-2-1-3-12/h3-11H,12-13H2,1-2H3,(H,26,32)(H,27,33)(H,30,34);2-4,7,10-11,14H,5-6,8-9,12-13H2,1H3,(H,24,31)(H,25,32)(H,28,33);2-4,7,10-11,14H,5-6,8-9,12-13H2,1H3,(H,24,31)(H,25,32)(H,28,33);1-11H,12-13H2,(H,24,30)(H,25,31)(H,28,32);2-9H,10-11H2,1H3,(H,23,29)(H,24,30)(H,27,31);1-9H,10-11H2,(H,24,30)(H,25,31)(H,28,32);1-8,10H,9,11H2,(H,24,30)(H,25,31)(H,28,32);4-9,12H,1-3,10-11H2,(H,22,28)(H,23,29)(H,26,30)
InChIKeyGEXLQDJUUGRMAL-UHFFFAOYSA-N
MW3675.73 g/mol
LogP11.97
Rot. Bonds49

About 7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 158235566) has the molecular formula C179H160N54O34S2 and a molecular weight of 3675.73 g/mol. Its IUPAC name is 7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID158235566
Molecular FormulaC179H160N54O34S2
Molecular Weight3675.73 g/mol
Exact Mass3673.19
IUPAC Name7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCN1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3ccnn23)CC1.CS(=O)(=O)N1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3ccnn23)CC1.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3ccnn23)cc1C.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3ccnn23)s1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCC2CCC2)n2nccc2n1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2ccccc2)n2nccc2n1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2cnccn2)n2nccc2n1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2ncccn2)n2nccc2n1
InChIInChI=1S/C25H22N6O4.C23H25N7O6S.C23H25N7O4.C23H18N6O4.C22H18N6O4S.2C21H16N8O4.C21H20N6O4/c1-14-3-4-16(9-15(14)2)12-27-24(33)20-11-19(29-22-7-8-28-31(20)22)23(32)26-13-17-5-6-21-18(10-17)30-25(34)35-21;1-37(34,35)29-8-5-14(6-9-29)12-25-22(32)18-11-17(27-20-4-7-26-30(18)20)21(31)24-13-15-2-3-19-16(10-15)28-23(33)36-19;1-29-8-5-14(6-9-29)12-25-22(32)18-11-17(27-20-4-7-26-30(18)20)21(31)24-13-15-2-3-19-16(10-15)28-23(33)34-19;30-21(24-13-15-6-7-19-16(10-15)28-23(32)33-19)17-11-18(29-20(27-17)8-9-26-29)22(31)25-12-14-4-2-1-3-5-14;1-12-2-4-14(33-12)11-24-21(30)17-9-16(26-19-6-7-25-28(17)19)20(29)23-10-13-3-5-18-15(8-13)27-22(31)32-18;30-19(24-10-12-2-3-16-13(8-12)28-21(32)33-16)14-9-15(29-18(27-14)4-7-26-29)20(31)25-11-17-22-5-1-6-23-17;30-19(24-9-12-1-2-17-14(7-12)28-21(32)33-17)15-8-16(29-18(27-15)3-4-26-29)20(31)25-11-13-10-22-5-6-23-13;28-19(22-11-13-4-5-17-14(8-13)26-21(30)31-17)15-9-16(27-18(25-15)6-7-24-27)20(29)23-10-12-2-1-3-12/h3-11H,12-13H2,1-2H3,(H,26,32)(H,27,33)(H,30,34);2-4,7,10-11,14H,5-6,8-9,12-13H2,1H3,(H,24,31)(H,25,32)(H,28,33);2-4,7,10-11,14H,5-6,8-9,12-13H2,1H3,(H,24,31)(H,25,32)(H,28,33);1-11H,12-13H2,(H,24,30)(H,25,31)(H,28,32);2-9H,10-11H2,1H3,(H,23,29)(H,24,30)(H,27,31);1-9H,10-11H2,(H,24,30)(H,25,31)(H,28,32);1-8,10H,9,11H2,(H,24,30)(H,25,31)(H,28,32);4-9,12H,1-3,10-11H2,(H,22,28)(H,23,29)(H,26,30)
InChIKeyGEXLQDJUUGRMAL-UHFFFAOYSA-N
XLogP11.97
TPSA1167.30 Ų
H-Bond Donors24
H-Bond Acceptors64
Rotatable Bonds49
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003675.73
LogP ≤ 511.97
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1064

Analyze 7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-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-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 158235566) is 7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CN1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3ccnn23)CC1.CS(=O)(=O)N1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3ccnn23)CC1.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3ccnn23)cc1C.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3ccnn23)s1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCC2CCC2)n2nccc2n1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2ccccc2)n2nccc2n1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2cnccn2)n2nccc2n1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2ncccn2)n2nccc2n1.
What is the InChIKey of 7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is GEXLQDJUUGRMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O4.C23H25N7O6S.C23H25N7O4.C23H18N6O4.C22H18N6O4S.2C21H16N8O4.C21H20N6O4/c1-14-3-4-16(9-15(14)2)12-27-24(33)20-11-19(29-22-7-8-28-31(20)22)23(32)26-13-17-5-6-21-18(10-17)30-25(34)35-21;1-37(34,35)29-8-5-14(6-9-29)12-25-22(32)18-11-17(27-20-4-7-26-30(18)20)21(31)24-13-15-2-3-19-16(10-15)28-23(33)36-19;1-29-8-5-14(6-9-29)12-25-22(32)18-11-17(27-20-4-7-26-30(18)20)21(31)24-13-15-2-3-19-16(10-15)28-23(33)34-19;30-21(24-13-15-6-7-19-16(10-15)28-23(32)33-19)17-11-18(29-20(27-17)8-9-26-29)22(31)25-12-14-4-2-1-3-5-14;1-12-2-4-14(33-12)11-24-21(30)17-9-16(26-19-6-7-25-28(17)19)20(29)23-10-13-3-5-18-15(8-13)27-22(31)32-18;30-19(24-10-12-2-3-16-13(8-12)28-21(32)33-16)14-9-15(29-18(27-14)4-7-26-29)20(31)25-11-17-22-5-1-6-23-17;30-19(24-9-12-1-2-17-14(7-12)28-21(32)33-17)15-8-16(29-18(27-15)3-4-26-29)20(31)25-11-13-10-22-5-6-23-13;28-19(22-11-13-4-5-17-14(8-13)26-21(30)31-17)15-9-16(27-18(25-15)6-7-24-27)20(29)23-10-12-2-1-3-12/h3-11H,12-13H2,1-2H3,(H,26,32)(H,27,33)(H,30,34);2-4,7,10-11,14H,5-6,8-9,12-13H2,1H3,(H,24,31)(H,25,32)(H,28,33);2-4,7,10-11,14H,5-6,8-9,12-13H2,1H3,(H,24,31)(H,25,32)(H,28,33);1-11H,12-13H2,(H,24,30)(H,25,31)(H,28,32);2-9H,10-11H2,1H3,(H,23,29)(H,24,30)(H,27,31);1-9H,10-11H2,(H,24,30)(H,25,31)(H,28,32);1-8,10H,9,11H2,(H,24,30)(H,25,31)(H,28,32);4-9,12H,1-3,10-11H2,(H,22,28)(H,23,29)(H,26,30).
What are the key properties of 7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 3675.73 g/mol, XLogP of 11.97, 49 rotatable bonds, 24 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-benzyl-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclobutylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 158235566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).