7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C190H174N46O34S — CID 161006343

IUPAC7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12.CN(C)C(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12.CNC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12)C(=O)NC1CN(S(C)(=O)=O)C1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C)n4nccc4n3)cc21
InChIInChI=1S/C29H27N7O5.C28H25N7O5.C28H24N6O5.3C27H24N6O4.C24H26N8O7S/c1-34(2)26(39)29-21-18-22(29)20-23(29)19(21)28(18,20)11-31-25(38)15-9-13(33-17-6-7-32-36(15)17)24(37)30-10-12-4-5-16-14(8-12)35(3)27(40)41-16;1-29-25(38)28-20-17-21(28)19-22(28)18(20)27(17,19)10-31-24(37)14-8-12(33-16-5-6-32-35(14)16)23(36)30-9-11-3-4-15-13(7-11)34(2)26(39)40-15;1-11(35)28-21-18-22(28)20-23(28)19(21)27(18,20)10-30-25(37)15-8-13(32-17-5-6-31-34(15)17)24(36)29-9-12-3-4-16-14(7-12)33(2)26(38)39-16;3*1-26-17-20-18(26)22-19(26)21(17)27(20,22)10-29-24(35)14-8-12(31-16-5-6-30-33(14)16)23(34)28-9-11-3-4-15-13(7-11)32(2)25(36)37-15;1-13(21(33)28-15-11-31(12-15)40(3,37)38)27-23(35)18-9-16(29-20-6-7-26-32(18)20)22(34)25-10-14-4-5-19-17(8-14)30(2)24(36)39-19/h4-9,18-23H,10-11H2,1-3H3,(H,30,37)(H,31,38);3-8,17-22H,9-10H2,1-2H3,(H,29,38)(H,30,36)(H,31,37);3-8,18-23H,9-10H2,1-2H3,(H,29,36)(H,30,37);3*3-8,17-22H,9-10H2,1-2H3,(H,28,34)(H,29,35);4-9,13,15H,10-12H2,1-3H3,(H,25,34)(H,27,35)(H,28,33)/t;;;;;;13-/m......0/s1
InChIKeyTWNYWVUCCMXCBC-RPZIFWDJSA-N
MW3677.84 g/mol
LogP5.90
Rot. Bonds47

About 7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 161006343) has the molecular formula C190H174N46O34S and a molecular weight of 3677.84 g/mol. Its IUPAC name is 7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID161006343
Molecular FormulaC190H174N46O34S
Molecular Weight3677.84 g/mol
Exact Mass3675.30
IUPAC Name7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12.CN(C)C(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12.CNC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12)C(=O)NC1CN(S(C)(=O)=O)C1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C)n4nccc4n3)cc21
InChIInChI=1S/C29H27N7O5.C28H25N7O5.C28H24N6O5.3C27H24N6O4.C24H26N8O7S/c1-34(2)26(39)29-21-18-22(29)20-23(29)19(21)28(18,20)11-31-25(38)15-9-13(33-17-6-7-32-36(15)17)24(37)30-10-12-4-5-16-14(8-12)35(3)27(40)41-16;1-29-25(38)28-20-17-21(28)19-22(28)18(20)27(17,19)10-31-24(37)14-8-12(33-16-5-6-32-35(14)16)23(36)30-9-11-3-4-15-13(7-11)34(2)26(39)40-15;1-11(35)28-21-18-22(28)20-23(28)19(21)27(18,20)10-30-25(37)15-8-13(32-17-5-6-31-34(15)17)24(36)29-9-12-3-4-16-14(7-12)33(2)26(38)39-16;3*1-26-17-20-18(26)22-19(26)21(17)27(20,22)10-29-24(35)14-8-12(31-16-5-6-30-33(14)16)23(34)28-9-11-3-4-15-13(7-11)32(2)25(36)37-15;1-13(21(33)28-15-11-31(12-15)40(3,37)38)27-23(35)18-9-16(29-20-6-7-26-32(18)20)22(34)25-10-14-4-5-19-17(8-14)30(2)24(36)39-19/h4-9,18-23H,10-11H2,1-3H3,(H,30,37)(H,31,38);3-8,17-22H,9-10H2,1-2H3,(H,29,38)(H,30,36)(H,31,37);3-8,18-23H,9-10H2,1-2H3,(H,29,36)(H,30,37);3*3-8,17-22H,9-10H2,1-2H3,(H,28,34)(H,29,35);4-9,13,15H,10-12H2,1-3H3,(H,25,34)(H,27,35)(H,28,33)/t;;;;;;13-/m......0/s1
InChIKeyTWNYWVUCCMXCBC-RPZIFWDJSA-N
XLogP5.90
TPSA997.67 Ų
H-Bond Donors16
H-Bond Acceptors62
Rotatable Bonds47
Heavy Atoms271
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003677.84
LogP ≤ 55.90
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1062

Analyze 7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460978
7-N-[(4-carbamoylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70309769
7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70310769
7-N-[[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462265
7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 161360476
5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462927
7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
CID 160830635
7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462597
5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70310768
5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(4-propanoyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 160823313
7-N-[(4-fluoro-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143588074
7-N-[(2-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461521

Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 161006343) is 7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12.CN(C)C(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12.CNC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12)C(=O)NC1CN(S(C)(=O)=O)C1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C)n4nccc4n3)cc21.
What is the InChIKey of 7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is TWNYWVUCCMXCBC-RPZIFWDJSA-N. The full InChI is InChI=1S/C29H27N7O5.C28H25N7O5.C28H24N6O5.3C27H24N6O4.C24H26N8O7S/c1-34(2)26(39)29-21-18-22(29)20-23(29)19(21)28(18,20)11-31-25(38)15-9-13(33-17-6-7-32-36(15)17)24(37)30-10-12-4-5-16-14(8-12)35(3)27(40)41-16;1-29-25(38)28-20-17-21(28)19-22(28)18(20)27(17,19)10-31-24(37)14-8-12(33-16-5-6-32-35(14)16)23(36)30-9-11-3-4-15-13(7-11)34(2)26(39)40-15;1-11(35)28-21-18-22(28)20-23(28)19(21)27(18,20)10-30-25(37)15-8-13(32-17-5-6-31-34(15)17)24(36)29-9-12-3-4-16-14(7-12)33(2)26(38)39-16;3*1-26-17-20-18(26)22-19(26)21(17)27(20,22)10-29-24(35)14-8-12(31-16-5-6-30-33(14)16)23(34)28-9-11-3-4-15-13(7-11)32(2)25(36)37-15;1-13(21(33)28-15-11-31(12-15)40(3,37)38)27-23(35)18-9-16(29-20-6-7-26-32(18)20)22(34)25-10-14-4-5-19-17(8-14)30(2)24(36)39-19/h4-9,18-23H,10-11H2,1-3H3,(H,30,37)(H,31,38);3-8,17-22H,9-10H2,1-2H3,(H,29,38)(H,30,36)(H,31,37);3-8,18-23H,9-10H2,1-2H3,(H,29,36)(H,30,37);3*3-8,17-22H,9-10H2,1-2H3,(H,28,34)(H,29,35);4-9,13,15H,10-12H2,1-3H3,(H,25,34)(H,27,35)(H,28,33)/t;;;;;;13-/m......0/s1.
What are the key properties of 7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 3677.84 g/mol, XLogP of 5.90, 47 rotatable bonds, 16 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tris(7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 161006343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).