5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane

C152H118N102 — CID 158598432

IUPAC5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane
SMILESCC.[C-]#[N+]c1c(C)nn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2ccnc(-n3nc(C)c(/N=N/c4c(C#N)c(C)nn4-c4ccccn4)c3N)n2)c1N.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3N)ncn2)c1N.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2ccc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3N)nn2)c1N.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2cnc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3N)cn2)c1N.[C-]#[N+]c1cnn(-c2cnccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4cnccn4)c3N)ncn2)c1N
InChIInChI=1S/C32H26N20.3C30H22N20.C28H20N22.C2H6/c1-17-21(16-33)30(50(45-17)22-10-6-8-13-37-22)43-41-26-19(3)48-52(29(26)35)32-39-15-12-24(40-32)49-28(34)25(18(2)46-49)42-44-31-27(36-5)20(4)47-51(31)23-11-7-9-14-38-23;1-17-25(41-43-29-19(14-31)15-37-49(29)21-8-4-6-12-35-21)27(32)47(45-17)23-10-11-24(40-39-23)48-28(33)26(18(2)46-48)42-44-30-20(34-3)16-38-50(30)22-9-5-7-13-36-22;1-17-25(41-43-29-19(13-31)14-39-49(29)21-8-4-6-10-35-21)27(32)47(45-17)23-12-24(38-16-37-23)48-28(33)26(18(2)46-48)42-44-30-20(34-3)15-40-50(30)22-9-5-7-11-36-22;1-17-25(41-43-29-19(12-31)13-39-49(29)21-8-4-6-10-35-21)27(32)47(45-17)23-15-38-24(16-37-23)48-28(33)26(18(2)46-48)42-44-30-20(34-3)14-40-50(30)22-9-5-7-11-36-22;1-15-23(41-43-27-17(9-29)10-39-49(27)21-12-33-4-6-35-21)25(30)47(45-15)19-8-20(38-14-37-19)48-26(31)24(16(2)46-48)42-44-28-18(32-3)11-40-50(28)22-13-34-5-7-36-22;1-2/h6-15H,34-35H2,1-4H3;4-13,15-16H,32-33H2,1-2H3;4-12,14-16H,32-33H2,1-2H3;4-11,13-16H,32-33H2,1-2H3;4-8,10-14H,30-31H2,1-2H3;1-2H3/b5*43-41+,44-42+;
InChIKeyHVHZFADKUPVZFI-XJCXEPSESA-N
MW3373.33 g/mol
LogP25.65
Rot. Bonds40

About 5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane

5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane (PubChem CID 158598432) has the molecular formula C152H118N102 and a molecular weight of 3373.33 g/mol. Its IUPAC name is 5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane.

Molecular Properties

Compound Name5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane
PubChem CID158598432
Molecular FormulaC152H118N102
Molecular Weight3373.33 g/mol
Exact Mass3371.24
IUPAC Name5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane
SMILESCC.[C-]#[N+]c1c(C)nn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2ccnc(-n3nc(C)c(/N=N/c4c(C#N)c(C)nn4-c4ccccn4)c3N)n2)c1N.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3N)ncn2)c1N.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2ccc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3N)nn2)c1N.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2cnc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3N)cn2)c1N.[C-]#[N+]c1cnn(-c2cnccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4cnccn4)c3N)ncn2)c1N
InChIInChI=1S/C32H26N20.3C30H22N20.C28H20N22.C2H6/c1-17-21(16-33)30(50(45-17)22-10-6-8-13-37-22)43-41-26-19(3)48-52(29(26)35)32-39-15-12-24(40-32)49-28(34)25(18(2)46-49)42-44-31-27(36-5)20(4)47-51(31)23-11-7-9-14-38-23;1-17-25(41-43-29-19(14-31)15-37-49(29)21-8-4-6-12-35-21)27(32)47(45-17)23-10-11-24(40-39-23)48-28(33)26(18(2)46-48)42-44-30-20(34-3)16-38-50(30)22-9-5-7-13-36-22;1-17-25(41-43-29-19(13-31)14-39-49(29)21-8-4-6-10-35-21)27(32)47(45-17)23-12-24(38-16-37-23)48-28(33)26(18(2)46-48)42-44-30-20(34-3)15-40-50(30)22-9-5-7-11-36-22;1-17-25(41-43-29-19(12-31)13-39-49(29)21-8-4-6-10-35-21)27(32)47(45-17)23-15-38-24(16-37-23)48-28(33)26(18(2)46-48)42-44-30-20(34-3)14-40-50(30)22-9-5-7-11-36-22;1-15-23(41-43-27-17(9-29)10-39-49(27)21-12-33-4-6-35-21)25(30)47(45-15)19-8-20(38-14-37-19)48-26(31)24(16(2)46-48)42-44-28-18(32-3)11-40-50(28)22-13-34-5-7-36-22;1-2/h6-15H,34-35H2,1-4H3;4-13,15-16H,32-33H2,1-2H3;4-12,14-16H,32-33H2,1-2H3;4-11,13-16H,32-33H2,1-2H3;4-8,10-14H,30-31H2,1-2H3;1-2H3/b5*43-41+,44-42+;
InChIKeyHVHZFADKUPVZFI-XJCXEPSESA-N
XLogP25.65
TPSA1288.13 Ų
H-Bond Donors10
H-Bond Acceptors97
Rotatable Bonds40
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003373.33
LogP ≤ 525.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1097

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 5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane?
The IUPAC name of 5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane (CID 158598432) is 5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane.
What is the SMILES notation for 5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane?
The canonical SMILES for 5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane is CC.[C-]#[N+]c1c(C)nn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2ccnc(-n3nc(C)c(/N=N/c4c(C#N)c(C)nn4-c4ccccn4)c3N)n2)c1N.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3N)ncn2)c1N.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2ccc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3N)nn2)c1N.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2cnc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3N)cn2)c1N.[C-]#[N+]c1cnn(-c2cnccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4cnccn4)c3N)ncn2)c1N.
What is the InChIKey of 5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane?
The InChIKey is HVHZFADKUPVZFI-XJCXEPSESA-N. The full InChI is InChI=1S/C32H26N20.3C30H22N20.C28H20N22.C2H6/c1-17-21(16-33)30(50(45-17)22-10-6-8-13-37-22)43-41-26-19(3)48-52(29(26)35)32-39-15-12-24(40-32)49-28(34)25(18(2)46-49)42-44-31-27(36-5)20(4)47-51(31)23-11-7-9-14-38-23;1-17-25(41-43-29-19(14-31)15-37-49(29)21-8-4-6-12-35-21)27(32)47(45-17)23-10-11-24(40-39-23)48-28(33)26(18(2)46-48)42-44-30-20(34-3)16-38-50(30)22-9-5-7-13-36-22;1-17-25(41-43-29-19(13-31)14-39-49(29)21-8-4-6-10-35-21)27(32)47(45-17)23-12-24(38-16-37-23)48-28(33)26(18(2)46-48)42-44-30-20(34-3)15-40-50(30)22-9-5-7-11-36-22;1-17-25(41-43-29-19(12-31)13-39-49(29)21-8-4-6-10-35-21)27(32)47(45-17)23-15-38-24(16-37-23)48-28(33)26(18(2)46-48)42-44-30-20(34-3)14-40-50(30)22-9-5-7-11-36-22;1-15-23(41-43-27-17(9-29)10-39-49(27)21-12-33-4-6-35-21)25(30)47(45-15)19-8-20(38-14-37-19)48-26(31)24(16(2)46-48)42-44-28-18(32-3)11-40-50(28)22-13-34-5-7-36-22;1-2/h6-15H,34-35H2,1-4H3;4-13,15-16H,32-33H2,1-2H3;4-12,14-16H,32-33H2,1-2H3;4-11,13-16H,32-33H2,1-2H3;4-8,10-14H,30-31H2,1-2H3;1-2H3/b5*43-41+,44-42+;.
What are the key properties of 5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane?
5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane has a molecular weight of 3373.33 g/mol, XLogP of 25.65, 40 rotatable bonds, 10 hydrogen bond donors, and 97 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[5-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[6-[5-amino-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane is sourced from PubChem (CID 158598432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).