4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile

C25H24N6 — CID 118643998

IUPAC4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)cc(CN3CCNCC3)c3ncnn23)cc1
InChIInChI=1S/C25H24N6/c1-18-2-6-21(7-3-18)24-23(20-8-4-19(15-26)5-9-20)14-22(25-28-17-29-31(24)25)16-30-12-10-27-11-13-30/h2-9,14,17,27H,10-13,16H2,1H3
InChIKeyIVZIPLGIKWFUOG-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.65
Rot. Bonds4

About 4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile

4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118643998) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118643998
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)cc(CN3CCNCC3)c3ncnn23)cc1
InChIInChI=1S/C25H24N6/c1-18-2-6-21(7-3-18)24-23(20-8-4-19(15-26)5-9-20)14-22(25-28-17-29-31(24)25)16-30-12-10-27-11-13-30/h2-9,14,17,27H,10-13,16H2,1H3
InChIKeyIVZIPLGIKWFUOG-UHFFFAOYSA-N
XLogP3.65
TPSA69.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]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

4-[8-[3-[(3-aminopyrrolidin-1-yl)methyl]phenyl]-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile
CID 118644013
(3S)-1-[[6-(4-isocyanophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-N-methylpyrrolidin-3-amine
CID 147542064
4-[5-(4-methylphenyl)-2-[(1-methylpyrazol-3-yl)methyl]-3-oxo-8-[[(3R)-pyrrolidin-3-yl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile
CID 118644249
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
4-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-6-(4-methylphenyl)-1-benzofuran-5-yl]benzonitrile
CID 164619308
1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
4-[5-(4-methylphenyl)-2-(piperidin-4-ylmethyl)pyrimidin-4-yl]benzonitrile
CID 147805770
4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile
CID 121283073
1-[[4-methyl-2-(2H-tetrazol-5-yl)phenyl]methyl]piperazine
CID 159710709

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile (CID 118643998) is 4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile is Cc1ccc(-c2c(-c3ccc(C#N)cc3)cc(CN3CCNCC3)c3ncnn23)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is IVZIPLGIKWFUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-18-2-6-21(7-3-18)24-23(20-8-4-19(15-26)5-9-20)14-22(25-28-17-29-31(24)25)16-30-12-10-27-11-13-30/h2-9,14,17,27H,10-13,16H2,1H3.
What are the key properties of 4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 408.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)-8-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118643998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).