5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine

C19H20N6S — CID 17489572

IUPAC5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCCC(c4nnc5ccccn45)C3)c2c1C
InChIInChI=1S/C19H20N6S/c1-12-13(2)26-19-16(12)18(20-11-21-19)24-8-5-6-14(10-24)17-23-22-15-7-3-4-9-25(15)17/h3-4,7,9,11,14H,5-6,8,10H2,1-2H3
InChIKeyUMRKSVGOAXFNBM-UHFFFAOYSA-N
MW364.48 g/mol
LogP3.73
Rot. Bonds2

About 5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine

5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 17489572) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is 5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID17489572
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC Name5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCCC(c4nnc5ccccn45)C3)c2c1C
InChIInChI=1S/C19H20N6S/c1-12-13(2)26-19-16(12)18(20-11-21-19)24-8-5-6-14(10-24)17-23-22-15-7-3-4-9-25(15)17/h3-4,7,9,11,14H,5-6,8,10H2,1-2H3
InChIKeyUMRKSVGOAXFNBM-UHFFFAOYSA-N
XLogP3.73
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]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 5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 17489572) is 5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine is Cc1sc2ncnc(N3CCCC(c4nnc5ccccn45)C3)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is UMRKSVGOAXFNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S/c1-12-13(2)26-19-16(12)18(20-11-21-19)24-8-5-6-14(10-24)17-23-22-15-7-3-4-9-25(15)17/h3-4,7,9,11,14H,5-6,8,10H2,1-2H3.
What are the key properties of 5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 364.48 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 17489572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).