1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile

C134H92N100 — CID 159015004

IUPAC1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
SMILES[C-]#[N+]c1cnn(-c2cc(-n3ncc(C#N)c3/N=N/c3c(C)nn4nc(C)[nH]c34)nc(-n3ncc(C#N)c3/N=N/c3c(C)nn4nc(C)[nH]c34)n2)c1/N=N/c1c(C)nn2nc(C)[nH]c12.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(-c2ccc(-c3nn4nc(C)[nH]c4c3/N=N/c3c(C#N)cnn3-c3ccccn3)cc2)nn2c1CC(C)=N2.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn2nc(-c3ccc(-c4nn5nc(C)c(/N=N/c6c(C#N)cnn6-c6ccccn6)c5[nH]4)nn3)[nH]c12.[C-]#[N+]c1cnn(-c2nc(-n3ncc(C#N)c3/N=N/c3c(C)nn4nc(C)[nH]c34)nc(-n3ncc(C#N)c3/N=N/c3c(C)nn4nc(C)[nH]c34)n2)c1/N=N/c1c(C)nn2nc(C)[nH]c12
InChIInChI=1S/C35H23N19.C34H25N29.C33H24N30.C32H20N22/c1-20-16-26-31(43-46-34-25(37-3)19-41-52(34)28-9-5-7-15-39-28)29(49-53(26)47-20)22-10-12-23(13-11-22)30-32(35-42-21(2)48-54(35)50-30)44-45-33-24(17-36)18-40-51(33)27-8-4-6-14-38-27;1-14-25(31-41-17(4)55-61(31)52-14)46-49-28-20(9-35)11-38-58(28)23-8-24(59-30(22(37-7)13-40-59)51-48-27-16(3)54-63-33(27)43-19(6)57-63)45-34(44-23)60-29(21(10-36)12-39-60)50-47-26-15(2)53-62-32(26)42-18(5)56-62;1-13-22(28-40-16(4)55-61(28)52-13)46-49-25-19(8-34)10-37-58(25)31-43-32(59-26(20(9-35)11-38-59)50-47-23-14(2)53-62-29(23)41-17(5)56-62)45-33(44-31)60-27(21(36-7)12-39-60)51-48-24-15(3)54-63-30(24)42-18(6)57-63;1-17-25(43-45-29-19(14-33)15-37-51(29)23-8-4-6-12-35-23)31-39-27(49-53(31)47-17)20-10-11-21(42-41-20)28-40-32-26(18(2)48-54(32)50-28)44-46-30-22(34-3)16-38-52(30)24-9-5-7-13-36-24/h4-15,18-19H,16H2,1-2H3,(H,42,48);8,11-13H,1-6H3,(H,41,55)(H,42,56)(H,43,57);10-12H,1-6H3,(H,40,55)(H,41,56)(H,42,57);4-13,15-16H,1-2H3,(H,39,49)(H,40,50)/b45-44+,46-43+;2*49-46+,50-47+,51-48+;45-43+,46-44+
InChIKeyJSZAOUWGVQAQQH-CHUUPRBESA-N
MW3102.91 g/mol
LogP23.14
Rot. Bonds34

About 1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile

1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile (PubChem CID 159015004) has the molecular formula C134H92N100 and a molecular weight of 3102.91 g/mol. Its IUPAC name is 1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
PubChem CID159015004
Molecular FormulaC134H92N100
Molecular Weight3102.91 g/mol
Exact Mass3101.03
IUPAC Name1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
SMILES[C-]#[N+]c1cnn(-c2cc(-n3ncc(C#N)c3/N=N/c3c(C)nn4nc(C)[nH]c34)nc(-n3ncc(C#N)c3/N=N/c3c(C)nn4nc(C)[nH]c34)n2)c1/N=N/c1c(C)nn2nc(C)[nH]c12.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(-c2ccc(-c3nn4nc(C)[nH]c4c3/N=N/c3c(C#N)cnn3-c3ccccn3)cc2)nn2c1CC(C)=N2.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn2nc(-c3ccc(-c4nn5nc(C)c(/N=N/c6c(C#N)cnn6-c6ccccn6)c5[nH]4)nn3)[nH]c12.[C-]#[N+]c1cnn(-c2nc(-n3ncc(C#N)c3/N=N/c3c(C)nn4nc(C)[nH]c34)nc(-n3ncc(C#N)c3/N=N/c3c(C)nn4nc(C)[nH]c34)n2)c1/N=N/c1c(C)nn2nc(C)[nH]c12
InChIInChI=1S/C35H23N19.C34H25N29.C33H24N30.C32H20N22/c1-20-16-26-31(43-46-34-25(37-3)19-41-52(34)28-9-5-7-15-39-28)29(49-53(26)47-20)22-10-12-23(13-11-22)30-32(35-42-21(2)48-54(35)50-30)44-45-33-24(17-36)18-40-51(33)27-8-4-6-14-38-27;1-14-25(31-41-17(4)55-61(31)52-14)46-49-28-20(9-35)11-38-58(28)23-8-24(59-30(22(37-7)13-40-59)51-48-27-16(3)54-63-33(27)43-19(6)57-63)45-34(44-23)60-29(21(10-36)12-39-60)50-47-26-15(2)53-62-32(26)42-18(5)56-62;1-13-22(28-40-16(4)55-61(28)52-13)46-49-25-19(8-34)10-37-58(25)31-43-32(59-26(20(9-35)11-38-59)50-47-23-14(2)53-62-29(23)41-17(5)56-62)45-33(44-31)60-27(21(36-7)12-39-60)51-48-24-15(3)54-63-30(24)42-18(6)57-63;1-17-25(43-45-29-19(14-33)15-37-51(29)23-8-4-6-12-35-23)31-39-27(49-53(31)47-17)20-10-11-21(42-41-20)28-40-32-26(18(2)48-54(32)50-28)44-46-30-22(34-3)16-38-52(30)24-9-5-7-13-36-24/h4-15,18-19H,16H2,1-2H3,(H,42,48);8,11-13H,1-6H3,(H,41,55)(H,42,56)(H,43,57);10-12H,1-6H3,(H,40,55)(H,41,56)(H,42,57);4-13,15-16H,1-2H3,(H,39,49)(H,40,50)/b45-44+,46-43+;2*49-46+,50-47+,51-48+;45-43+,46-44+
InChIKeyJSZAOUWGVQAQQH-CHUUPRBESA-N
XLogP23.14
TPSA1171.37 Ų
H-Bond Donors9
H-Bond Acceptors87
Rotatable Bonds34
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003102.91
LogP ≤ 523.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1087

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile (CID 159015004) is 1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile is [C-]#[N+]c1cnn(-c2cc(-n3ncc(C#N)c3/N=N/c3c(C)nn4nc(C)[nH]c34)nc(-n3ncc(C#N)c3/N=N/c3c(C)nn4nc(C)[nH]c34)n2)c1/N=N/c1c(C)nn2nc(C)[nH]c12.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(-c2ccc(-c3nn4nc(C)[nH]c4c3/N=N/c3c(C#N)cnn3-c3ccccn3)cc2)nn2c1CC(C)=N2.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn2nc(-c3ccc(-c4nn5nc(C)c(/N=N/c6c(C#N)cnn6-c6ccccn6)c5[nH]4)nn3)[nH]c12.[C-]#[N+]c1cnn(-c2nc(-n3ncc(C#N)c3/N=N/c3c(C)nn4nc(C)[nH]c34)nc(-n3ncc(C#N)c3/N=N/c3c(C)nn4nc(C)[nH]c34)n2)c1/N=N/c1c(C)nn2nc(C)[nH]c12.
What is the InChIKey of 1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
The InChIKey is JSZAOUWGVQAQQH-CHUUPRBESA-N. The full InChI is InChI=1S/C35H23N19.C34H25N29.C33H24N30.C32H20N22/c1-20-16-26-31(43-46-34-25(37-3)19-41-52(34)28-9-5-7-15-39-28)29(49-53(26)47-20)22-10-12-23(13-11-22)30-32(35-42-21(2)48-54(35)50-30)44-45-33-24(17-36)18-40-51(33)27-8-4-6-14-38-27;1-14-25(31-41-17(4)55-61(31)52-14)46-49-28-20(9-35)11-38-58(28)23-8-24(59-30(22(37-7)13-40-59)51-48-27-16(3)54-63-33(27)43-19(6)57-63)45-34(44-23)60-29(21(10-36)12-39-60)50-47-26-15(2)53-62-32(26)42-18(5)56-62;1-13-22(28-40-16(4)55-61(28)52-13)46-49-25-19(8-34)10-37-58(25)31-43-32(59-26(20(9-35)11-38-59)50-47-23-14(2)53-62-29(23)41-17(5)56-62)45-33(44-31)60-27(21(36-7)12-39-60)51-48-24-15(3)54-63-30(24)42-18(6)57-63;1-17-25(43-45-29-19(14-33)15-37-51(29)23-8-4-6-12-35-23)31-39-27(49-53(31)47-17)20-10-11-21(42-41-20)28-40-32-26(18(2)48-54(32)50-28)44-46-30-22(34-3)16-38-52(30)24-9-5-7-13-36-24/h4-15,18-19H,16H2,1-2H3,(H,42,48);8,11-13H,1-6H3,(H,41,55)(H,42,56)(H,43,57);10-12H,1-6H3,(H,40,55)(H,41,56)(H,42,57);4-13,15-16H,1-2H3,(H,39,49)(H,40,50)/b45-44+,46-43+;2*49-46+,50-47+,51-48+;45-43+,46-44+.
What are the key properties of 1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile has a molecular weight of 3102.91 g/mol, XLogP of 23.14, 34 rotatable bonds, 9 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]pyrimidin-4-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;1-[4-[4-cyano-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazol-1-yl]-6-[5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]-4-isocyanopyrazol-1-yl]-1,3,5-triazin-2-yl]-5-[(2,6-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)diazenyl]pyrazole-4-carbonitrile;5-[[6-[4-[4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-methyl-3H-pyrazolo[1,5-b]pyrazol-5-yl]phenyl]-2-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[2-[6-[7-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 159015004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).