1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine

C43H34N10O3 — CID 91040838

IUPAC1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine
SMILESCOc1ccc(-c2cccc3nc(N(c4ccc(-c5cccnc5)cc4)N(c4ccc(OC)nc4)c4nc5cccc(-c6ccc(OC)cc6)n5n4)nn23)cc1
InChIInChI=1S/C43H34N10O3/c1-54-35-21-14-30(15-22-35)37-8-4-10-39-46-42(48-50(37)39)52(33-18-12-29(13-19-33)32-7-6-26-44-27-32)53(34-20-25-41(56-3)45-28-34)43-47-40-11-5-9-38(51(40)49-43)31-16-23-36(55-2)24-17-31/h4-28H,1-3H3
InChIKeyUSKOWGCUUFWJFZ-UHFFFAOYSA-N
MW738.81 g/mol
LogP8.48
Rot. Bonds11

About 1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine

1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine (PubChem CID 91040838) has the molecular formula C43H34N10O3 and a molecular weight of 738.81 g/mol. Its IUPAC name is 1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine.

Molecular Properties

Compound Name1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine
PubChem CID91040838
Molecular FormulaC43H34N10O3
Molecular Weight738.81 g/mol
Exact Mass738.28
IUPAC Name1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine
SMILESCOc1ccc(-c2cccc3nc(N(c4ccc(-c5cccnc5)cc4)N(c4ccc(OC)nc4)c4nc5cccc(-c6ccc(OC)cc6)n5n4)nn23)cc1
InChIInChI=1S/C43H34N10O3/c1-54-35-21-14-30(15-22-35)37-8-4-10-39-46-42(48-50(37)39)52(33-18-12-29(13-19-33)32-7-6-26-44-27-32)53(34-20-25-41(56-3)45-28-34)43-47-40-11-5-9-38(51(40)49-43)31-16-23-36(55-2)24-17-31/h4-28H,1-3H3
InChIKeyUSKOWGCUUFWJFZ-UHFFFAOYSA-N
XLogP8.48
TPSA120.33 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500738.81
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

Methyl substituted pyrazole, 28
CID 23648676
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
3-(4-fluoro-3-methoxyphenyl)-7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879520
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
7-cyclohexyl-6-[4-(4-pyridylmethoxy)phenyl]-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958078
6-[[6-(3-Methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127046732
2-(4-Methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 754802
2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144373
3-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
CID 42634049
3-(3-Methoxyphenyl)-7-(4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44226241
N-(4-(4-methylpiperazin-1-yl)benzyl)-3-(4-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 44530412
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879451

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine?
The IUPAC name of 1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine (CID 91040838) is 1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine.
What is the SMILES notation for 1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine?
The canonical SMILES for 1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine is COc1ccc(-c2cccc3nc(N(c4ccc(-c5cccnc5)cc4)N(c4ccc(OC)nc4)c4nc5cccc(-c6ccc(OC)cc6)n5n4)nn23)cc1.
What is the InChIKey of 1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine?
The InChIKey is USKOWGCUUFWJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N10O3/c1-54-35-21-14-30(15-22-35)37-8-4-10-39-46-42(48-50(37)39)52(33-18-12-29(13-19-33)32-7-6-26-44-27-32)53(34-20-25-41(56-3)45-28-34)43-47-40-11-5-9-38(51(40)49-43)31-16-23-36(55-2)24-17-31/h4-28H,1-3H3.
What are the key properties of 1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine?
1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine has a molecular weight of 738.81 g/mol, XLogP of 8.48, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(6-methoxy-3-pyridinyl)-2-(4-pyridin-3-ylphenyl)hydrazine is sourced from PubChem (CID 91040838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).