3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile

C26H24N8O2 — CID 154666417

IUPAC3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile
SMILESCOc1ccc(CNc2nc(-c3cccc(C#N)c3)cc3nn(Cc4ccn(C)n4)nc23)c(OC)c1
InChIInChI=1S/C26H24N8O2/c1-33-10-9-20(30-33)16-34-31-23-13-22(18-6-4-5-17(11-18)14-27)29-26(25(23)32-34)28-15-19-7-8-21(35-2)12-24(19)36-3/h4-13H,15-16H2,1-3H3,(H,28,29)
InChIKeyMGNAXSMUZSHOHJ-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.78
Rot. Bonds8

About 3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile

3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile (PubChem CID 154666417) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile
PubChem CID154666417
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile
SMILESCOc1ccc(CNc2nc(-c3cccc(C#N)c3)cc3nn(Cc4ccn(C)n4)nc23)c(OC)c1
InChIInChI=1S/C26H24N8O2/c1-33-10-9-20(30-33)16-34-31-23-13-22(18-6-4-5-17(11-18)14-27)29-26(25(23)32-34)28-15-19-7-8-21(35-2)12-24(19)36-3/h4-13H,15-16H2,1-3H3,(H,28,29)
InChIKeyMGNAXSMUZSHOHJ-UHFFFAOYSA-N
XLogP3.78
TPSA115.70 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]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

2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 63362749
5-[(2,4-dimethoxyphenyl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757687
2-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 175980835
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 106539270
N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
CID 937254
3-[3-(bromomethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzonitrile
CID 169006656
3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine
CID 63363029
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
3-[[5-methoxy-2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 61267232
2-bromo-6-[(2,4-dimethoxyphenyl)methylamino]benzonitrile
CID 114881040
1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 3573876

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile?
The IUPAC name of 3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile (CID 154666417) is 3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile?
The canonical SMILES for 3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile is COc1ccc(CNc2nc(-c3cccc(C#N)c3)cc3nn(Cc4ccn(C)n4)nc23)c(OC)c1.
What is the InChIKey of 3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile?
The InChIKey is MGNAXSMUZSHOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O2/c1-33-10-9-20(30-33)16-34-31-23-13-22(18-6-4-5-17(11-18)14-27)29-26(25(23)32-34)28-15-19-7-8-21(35-2)12-24(19)36-3/h4-13H,15-16H2,1-3H3,(H,28,29).
What are the key properties of 3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile?
3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile has a molecular weight of 480.53 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(1-methylpyrazol-3-yl)methyl]triazolo[4,5-c]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 154666417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).