1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine

C48H46F4N12O — CID 91604147

IUPAC1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine
SMILESCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(N(c3cccc(N4CCN(C)CC4)c3)N(c3cccc(N4CCN(C)CC4)c3)c3nc4c(-c5ccc(F)cc5)cccn4n3)nc12
InChIInChI=1S/C48H46F4N12O/c1-57-22-26-59(27-23-57)36-8-4-10-38(31-36)63(46-53-44-40(12-6-20-61(44)55-46)33-14-17-35(49)18-15-33)64(39-11-5-9-37(32-39)60-28-24-58(2)25-29-60)47-54-45-41(13-7-21-62(45)56-47)42-30-34(48(50,51)52)16-19-43(42)65-3/h4-21,30-32H,22-29H2,1-3H3
InChIKeyMAPIGXZWSFITMD-UHFFFAOYSA-N
MW882.97 g/mol
LogP8.67
Rot. Bonds10

About 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine

1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine (PubChem CID 91604147) has the molecular formula C48H46F4N12O and a molecular weight of 882.97 g/mol. Its IUPAC name is 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine.

Molecular Properties

Compound Name1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine
PubChem CID91604147
Molecular FormulaC48H46F4N12O
Molecular Weight882.97 g/mol
Exact Mass882.39
IUPAC Name1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine
SMILESCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(N(c3cccc(N4CCN(C)CC4)c3)N(c3cccc(N4CCN(C)CC4)c3)c3nc4c(-c5ccc(F)cc5)cccn4n3)nc12
InChIInChI=1S/C48H46F4N12O/c1-57-22-26-59(27-23-57)36-8-4-10-38(31-36)63(46-53-44-40(12-6-20-61(44)55-46)33-14-17-35(49)18-15-33)64(39-11-5-9-37(32-39)60-28-24-58(2)25-29-60)47-54-45-41(13-7-21-62(45)56-47)42-30-34(48(50,51)52)16-19-43(42)65-3/h4-21,30-32H,22-29H2,1-3H3
InChIKeyMAPIGXZWSFITMD-UHFFFAOYSA-N
XLogP8.67
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500882.97
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine with MolForge

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Related Compounds

3-(4-fluoro-3-methoxyphenyl)-7-(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 46879519
6-(2-Fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine
CID 162668670
[8-(2-Methoxy-5-trifloromethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 49839133
[8-(2-Methoxy-5-trifloromethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 59612404
8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(3-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59612577
[8-(2-Methoxy-5-trifluoromethyl-phenyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-yl]-(4-piperidin-4-yl-phenyl)-amine
CID 59612622
[8-(2-Methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 67479000
(S)-4-(5-(3-fluoro-4-(2-morpholinoethoxy)phenyl)pyrimidin-2-yl)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)morpholine
CID 118364799
7-Fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464180
4-{[7-(3-Fluorophenyl)-7H-pyrazolo[4,3-E][1,2,4]triazolo[1,5-C]pyrimidin-2-YL]methyl}phenyl methyl ether
CID 16012961
6-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 57328340
4-[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-6-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032851

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine?
The IUPAC name of 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine (CID 91604147) is 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine.
What is the SMILES notation for 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine?
The canonical SMILES for 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine is COc1ccc(C(F)(F)F)cc1-c1cccn2nc(N(c3cccc(N4CCN(C)CC4)c3)N(c3cccc(N4CCN(C)CC4)c3)c3nc4c(-c5ccc(F)cc5)cccn4n3)nc12.
What is the InChIKey of 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine?
The InChIKey is MAPIGXZWSFITMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46F4N12O/c1-57-22-26-59(27-23-57)36-8-4-10-38(31-36)63(46-53-44-40(12-6-20-61(44)55-46)33-14-17-35(49)18-15-33)64(39-11-5-9-37(32-39)60-28-24-58(2)25-29-60)47-54-45-41(13-7-21-62(45)56-47)42-30-34(48(50,51)52)16-19-43(42)65-3/h4-21,30-32H,22-29H2,1-3H3.
What are the key properties of 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine?
1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine has a molecular weight of 882.97 g/mol, XLogP of 8.67, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine is sourced from PubChem (CID 91604147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).