5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile

C34H22N20 — CID 136643851

IUPAC5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
SMILESCc1n[nH]c2c(/N=N/c3c(C#N)cnn3-c3ccccn3)c(-c3ccc(-c4nn5c(C)n[nH]c5c4/N=N/c4c(C#N)cnn4-c4ccccn4)cc3)nn12
InChIInChI=1S/C34H22N20/c1-19-41-47-33-29(43-45-31-23(15-35)17-39-53(31)25-7-3-5-13-37-25)27(49-51(19)33)21-9-11-22(12-10-21)28-30(34-48-42-20(2)52(34)50-28)44-46-32-24(16-36)18-40-54(32)26-8-4-6-14-38-26/h3-14,17-18,47-48H,1-2H3/b45-43+,46-44+
InChIKeyCFUKWCQRMNILMA-MWOVFPFUSA-N
MW710.69 g/mol
LogP6.11
Rot. Bonds8

About 5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile

5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile (PubChem CID 136643851) has the molecular formula C34H22N20 and a molecular weight of 710.69 g/mol. Its IUPAC name is 5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
PubChem CID136643851
Molecular FormulaC34H22N20
Molecular Weight710.69 g/mol
Exact Mass710.23
IUPAC Name5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
SMILESCc1n[nH]c2c(/N=N/c3c(C#N)cnn3-c3ccccn3)c(-c3ccc(-c4nn5c(C)n[nH]c5c4/N=N/c4c(C#N)cnn4-c4ccccn4)cc3)nn12
InChIInChI=1S/C34H22N20/c1-19-41-47-33-29(43-45-31-23(15-35)17-39-53(31)25-7-3-5-13-37-25)27(49-51(19)33)21-9-11-22(12-10-21)28-30(34-48-42-20(2)52(34)50-28)44-46-32-24(16-36)18-40-54(32)26-8-4-6-14-38-26/h3-14,17-18,47-48H,1-2H3/b45-43+,46-44+
InChIKeyCFUKWCQRMNILMA-MWOVFPFUSA-N
XLogP6.11
TPSA250.40 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500710.69
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile (CID 136643851) is 5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile is Cc1n[nH]c2c(/N=N/c3c(C#N)cnn3-c3ccccn3)c(-c3ccc(-c4nn5c(C)n[nH]c5c4/N=N/c4c(C#N)cnn4-c4ccccn4)cc3)nn12.
What is the InChIKey of 5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
The InChIKey is CFUKWCQRMNILMA-MWOVFPFUSA-N. The full InChI is InChI=1S/C34H22N20/c1-19-41-47-33-29(43-45-31-23(15-35)17-39-53(31)25-7-3-5-13-37-25)27(49-51(19)33)21-9-11-22(12-10-21)28-30(34-48-42-20(2)52(34)50-28)44-46-32-24(16-36)18-40-54(32)26-8-4-6-14-38-26/h3-14,17-18,47-48H,1-2H3/b45-43+,46-44+.
What are the key properties of 5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile has a molecular weight of 710.69 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[4-[7-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]phenyl]-3-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 136643851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).