6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine

C17H20N4 — CID 145000599

IUPAC6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine
SMILESCCC1(C)CCc2c(-c3ccc4nccn4c3)n[nH]c2C1
InChIInChI=1S/C17H20N4/c1-3-17(2)7-6-13-14(10-17)19-20-16(13)12-4-5-15-18-8-9-21(15)11-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,19,20)
InChIKeyQWOLSDXWZSHYAR-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.63
Rot. Bonds2

About 6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine

6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine (PubChem CID 145000599) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine
PubChem CID145000599
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine
SMILESCCC1(C)CCc2c(-c3ccc4nccn4c3)n[nH]c2C1
InChIInChI=1S/C17H20N4/c1-3-17(2)7-6-13-14(10-17)19-20-16(13)12-4-5-15-18-8-9-21(15)11-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,19,20)
InChIKeyQWOLSDXWZSHYAR-UHFFFAOYSA-N
XLogP3.63
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine (CID 145000599) is 6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine is CCC1(C)CCc2c(-c3ccc4nccn4c3)n[nH]c2C1.
What is the InChIKey of 6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine?
The InChIKey is QWOLSDXWZSHYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-17(2)7-6-13-14(10-17)19-20-16(13)12-4-5-15-18-8-9-21(15)11-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,19,20).
What are the key properties of 6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine?
6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine has a molecular weight of 280.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethyl-6-methyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145000599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).