2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile

C25H25N7O — CID 59612638

IUPAC2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile
SMILESCN1CCN(c2cccc(Nc3nc4c(OCc5ccccc5C#N)cccn4n3)c2)CC1
InChIInChI=1S/C25H25N7O/c1-30-12-14-31(15-13-30)22-9-4-8-21(16-22)27-25-28-24-23(10-5-11-32(24)29-25)33-18-20-7-3-2-6-19(20)17-26/h2-11,16H,12-15,18H2,1H3,(H,27,29)
InChIKeyOICCSJIWOFIPMZ-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.68
Rot. Bonds6

About 2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile

2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile (PubChem CID 59612638) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile
PubChem CID59612638
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile
SMILESCN1CCN(c2cccc(Nc3nc4c(OCc5ccccc5C#N)cccn4n3)c2)CC1
InChIInChI=1S/C25H25N7O/c1-30-12-14-31(15-13-30)22-9-4-8-21(16-22)27-25-28-24-23(10-5-11-32(24)29-25)33-18-20-7-3-2-6-19(20)17-26/h2-11,16H,12-15,18H2,1H3,(H,27,29)
InChIKeyOICCSJIWOFIPMZ-UHFFFAOYSA-N
XLogP3.68
TPSA81.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethynyl]phenyl]ethanesulfonamide
CID 67481569
N-methyl-N-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methanesulfonamide
CID 70826743
5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile
CID 67336644
2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 69059062
5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 68779470
3-N-[3-(4-methylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 22344680
8-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71721683
2-methyl-1-[4-[3-[[8-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 91158260
2-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]methyl]benzonitrile
CID 67626629
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(3-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646635
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
CID 67479148
2-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile
CID 112913942

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile?
The IUPAC name of 2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile (CID 59612638) is 2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile.
What is the SMILES notation for 2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile?
The canonical SMILES for 2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile is CN1CCN(c2cccc(Nc3nc4c(OCc5ccccc5C#N)cccn4n3)c2)CC1.
What is the InChIKey of 2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile?
The InChIKey is OICCSJIWOFIPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-30-12-14-31(15-13-30)22-9-4-8-21(16-22)27-25-28-24-23(10-5-11-32(24)29-25)33-18-20-7-3-2-6-19(20)17-26/h2-11,16H,12-15,18H2,1H3,(H,27,29).
What are the key properties of 2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile?
2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile has a molecular weight of 439.52 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxymethyl]benzonitrile is sourced from PubChem (CID 59612638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).