5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine

C21H25N5 — CID 166673437

IUPAC5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)c1cc2cc(-c3cc(C(C)(C)C)n4cnnc4c3)cn2cn1
InChIInChI=1S/C21H25N5/c1-20(2,3)17-10-16-7-15(11-25(16)12-22-17)14-8-18(21(4,5)6)26-13-23-24-19(26)9-14/h7-13H,1-6H3
InChIKeyOQETZQDVPXDYLD-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.64
Rot. Bonds1

About 5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine

5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 166673437) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID166673437
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)c1cc2cc(-c3cc(C(C)(C)C)n4cnnc4c3)cn2cn1
InChIInChI=1S/C21H25N5/c1-20(2,3)17-10-16-7-15(11-25(16)12-22-17)14-8-18(21(4,5)6)26-13-23-24-19(26)9-14/h7-13H,1-6H3
InChIKeyOQETZQDVPXDYLD-UHFFFAOYSA-N
XLogP4.64
TPSA47.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine 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-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 166673437) is 5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)(C)c1cc2cc(-c3cc(C(C)(C)C)n4cnnc4c3)cn2cn1.
What is the InChIKey of 5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OQETZQDVPXDYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-20(2,3)17-10-16-7-15(11-25(16)12-22-17)14-8-18(21(4,5)6)26-13-23-24-19(26)9-14/h7-13H,1-6H3.
What are the key properties of 5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine?
5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 347.47 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-(3-tert-butylpyrrolo[1,2-c]pyrimidin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 166673437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).