7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C21H22N8 — CID 50741291

IUPAC7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(-c2ccnc(N3CCC(C)CC3)n2)cnc2nc(-c3cccnc3)nn12
InChIInChI=1S/C21H22N8/c1-14-6-10-28(11-7-14)20-23-9-5-18(25-20)17-13-24-21-26-19(27-29(21)15(17)2)16-4-3-8-22-12-16/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3
InChIKeyXJUXJRUYHQGWAC-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.19
Rot. Bonds3

About 7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 50741291) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID50741291
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(-c2ccnc(N3CCC(C)CC3)n2)cnc2nc(-c3cccnc3)nn12
InChIInChI=1S/C21H22N8/c1-14-6-10-28(11-7-14)20-23-9-5-18(25-20)17-13-24-21-26-19(27-29(21)15(17)2)16-4-3-8-22-12-16/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3
InChIKeyXJUXJRUYHQGWAC-UHFFFAOYSA-N
XLogP3.19
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 50741291) is 7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(-c2ccnc(N3CCC(C)CC3)n2)cnc2nc(-c3cccnc3)nn12.
What is the InChIKey of 7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XJUXJRUYHQGWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-14-6-10-28(11-7-14)20-23-9-5-18(25-20)17-13-24-21-26-19(27-29(21)15(17)2)16-4-3-8-22-12-16/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3.
What are the key properties of 7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 386.46 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 50741291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).