1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine

C40H34N8O6S2 — CID 68796293

IUPAC1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
SMILESCOc1cccc(N(c2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)N(c2cccc(OC)c2)c2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)c1
InChIInChI=1S/C40H34N8O6S2/c1-53-31-11-5-9-29(25-31)47(39-41-37-35(13-7-23-45(37)43-39)27-15-19-33(20-16-27)55(3,49)50)48(30-10-6-12-32(26-30)54-2)40-42-38-36(14-8-24-46(38)44-40)28-17-21-34(22-18-28)56(4,51)52/h5-26H,1-4H3
InChIKeyKGFZJGPUTJDPQE-UHFFFAOYSA-N
MW786.90 g/mol
LogP6.82
Rot. Bonds11

About 1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine

1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine (PubChem CID 68796293) has the molecular formula C40H34N8O6S2 and a molecular weight of 786.90 g/mol. Its IUPAC name is 1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine.

Molecular Properties

Compound Name1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
PubChem CID68796293
Molecular FormulaC40H34N8O6S2
Molecular Weight786.90 g/mol
Exact Mass786.20
IUPAC Name1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
SMILESCOc1cccc(N(c2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)N(c2cccc(OC)c2)c2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)c1
InChIInChI=1S/C40H34N8O6S2/c1-53-31-11-5-9-29(25-31)47(39-41-37-35(13-7-23-45(37)43-39)27-15-19-33(20-16-27)55(3,49)50)48(30-10-6-12-32(26-30)54-2)40-42-38-36(14-8-24-46(38)44-40)28-17-21-34(22-18-28)56(4,51)52/h5-26H,1-4H3
InChIKeyKGFZJGPUTJDPQE-UHFFFAOYSA-N
XLogP6.82
TPSA153.60 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.90
LogP ≤ 56.82
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(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine?
The IUPAC name of 1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine (CID 68796293) is 1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine.
What is the SMILES notation for 1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine?
The canonical SMILES for 1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine is COc1cccc(N(c2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)N(c2cccc(OC)c2)c2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)c1.
What is the InChIKey of 1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine?
The InChIKey is KGFZJGPUTJDPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N8O6S2/c1-53-31-11-5-9-29(25-31)47(39-41-37-35(13-7-23-45(37)43-39)27-15-19-33(20-16-27)55(3,49)50)48(30-10-6-12-32(26-30)54-2)40-42-38-36(14-8-24-46(38)44-40)28-17-21-34(22-18-28)56(4,51)52/h5-26H,1-4H3.
What are the key properties of 1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine?
1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine has a molecular weight of 786.90 g/mol, XLogP of 6.82, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine is sourced from PubChem (CID 68796293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).