1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine

C40H36N10O4S2 — CID 68795431

IUPAC1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(N(CCc4ccccn4)N(CCc4ccccn4)c4nc5c(-c6ccc(S(C)(=O)=O)cc6)cccn5n4)nc23)cc1
InChIInChI=1S/C40H36N10O4S2/c1-55(51,52)33-17-13-29(14-18-33)35-11-7-25-47-37(35)43-39(45-47)49(27-21-31-9-3-5-23-41-31)50(28-22-32-10-4-6-24-42-32)40-44-38-36(12-8-26-48(38)46-40)30-15-19-34(20-16-30)56(2,53)54/h3-20,23-26H,21-22,27-28H2,1-2H3
InChIKeyZNLODHDVZHYVKS-UHFFFAOYSA-N
MW784.93 g/mol
LogP5.42
Rot. Bonds13

About 1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine

1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine (PubChem CID 68795431) has the molecular formula C40H36N10O4S2 and a molecular weight of 784.93 g/mol. Its IUPAC name is 1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine.

Molecular Properties

Compound Name1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine
PubChem CID68795431
Molecular FormulaC40H36N10O4S2
Molecular Weight784.93 g/mol
Exact Mass784.24
IUPAC Name1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(N(CCc4ccccn4)N(CCc4ccccn4)c4nc5c(-c6ccc(S(C)(=O)=O)cc6)cccn5n4)nc23)cc1
InChIInChI=1S/C40H36N10O4S2/c1-55(51,52)33-17-13-29(14-18-33)35-11-7-25-47-37(35)43-39(45-47)49(27-21-31-9-3-5-23-41-31)50(28-22-32-10-4-6-24-42-32)40-44-38-36(12-8-26-48(38)46-40)30-15-19-34(20-16-30)56(2,53)54/h3-20,23-26H,21-22,27-28H2,1-2H3
InChIKeyZNLODHDVZHYVKS-UHFFFAOYSA-N
XLogP5.42
TPSA160.92 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500784.93
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine?
The IUPAC name of 1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine (CID 68795431) is 1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine.
What is the SMILES notation for 1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine?
The canonical SMILES for 1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine is CS(=O)(=O)c1ccc(-c2cccn3nc(N(CCc4ccccn4)N(CCc4ccccn4)c4nc5c(-c6ccc(S(C)(=O)=O)cc6)cccn5n4)nc23)cc1.
What is the InChIKey of 1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine?
The InChIKey is ZNLODHDVZHYVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N10O4S2/c1-55(51,52)33-17-13-29(14-18-33)35-11-7-25-47-37(35)43-39(45-47)49(27-21-31-9-3-5-23-41-31)50(28-22-32-10-4-6-24-42-32)40-44-38-36(12-8-26-48(38)46-40)30-15-19-34(20-16-30)56(2,53)54/h3-20,23-26H,21-22,27-28H2,1-2H3.
What are the key properties of 1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine?
1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine has a molecular weight of 784.93 g/mol, XLogP of 5.42, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(2-pyridin-2-ylethyl)hydrazine is sourced from PubChem (CID 68795431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).