1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine

C22H28N4 — CID 167682906

IUPAC1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1cnc2ccccn12.CC(C)(C)c1ncn2ccccc12
InChIInChI=1S/2C11H14N2/c1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-11(2,3)10-9-6-4-5-7-13(9)8-12-10/h2*4-8H,1-3H3
InChIKeyVUIJUXDNFSQXAU-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.26
Rot. Bonds

About 1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine

1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine (PubChem CID 167682906) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine
PubChem CID167682906
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1cnc2ccccn12.CC(C)(C)c1ncn2ccccc12
InChIInChI=1S/2C11H14N2/c1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-11(2,3)10-9-6-4-5-7-13(9)8-12-10/h2*4-8H,1-3H3
InChIKeyVUIJUXDNFSQXAU-UHFFFAOYSA-N
XLogP5.26
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-ditert-butylpyrrolo[1,2-a]pyrazine
CID 171454856
3-(2-methylpentan-2-yl)imidazo[1,2-a]pyridine
CID 135275036
4-tert-butylpyrrolo[1,2-a]pyrimidine
CID 58270248
2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid
CID 131987124
1-bromoimidazo[1,5-a]pyridine;ethane
CID 144796494
1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol
CID 58533033
3-tert-butyl-7-methoxyimidazo[1,2-a]pyridine
CID 146480145
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123773817
3-ethynylimidazo[1,2-a]pyridine
CID 46838759
1-(4-imidazo[1,5-a]pyridin-1-ylphenyl)imidazo[1,5-a]pyridine
CID 4702100
3-tert-butyl-6-(5-tert-butylimidazo[1,2-a]pyridin-2-yl)imidazo[1,2-a]pyridine
CID 167182452
3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid
CID 175415997

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine?
The IUPAC name of 1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine (CID 167682906) is 1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine.
What is the SMILES notation for 1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine?
The canonical SMILES for 1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine is CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1ncn2ccccc12.
What is the InChIKey of 1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine?
The InChIKey is VUIJUXDNFSQXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14N2/c1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-11(2,3)10-9-6-4-5-7-13(9)8-12-10/h2*4-8H,1-3H3.
What are the key properties of 1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine?
1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine has a molecular weight of 348.49 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine is sourced from PubChem (CID 167682906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).