7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine

C22H21N3 — CID 53393117

IUPAC7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ccc(-c2ccn3c(-c4ccncc4)cnc3c2)cc1
InChIInChI=1S/C22H21N3/c1-22(2,3)19-6-4-16(5-7-19)18-10-13-25-20(15-24-21(25)14-18)17-8-11-23-12-9-17/h4-15H,1-3H3
InChIKeyCGHPALAGQJNBCF-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.36
Rot. Bonds2

About 7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine

7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine (PubChem CID 53393117) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
PubChem CID53393117
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ccc(-c2ccn3c(-c4ccncc4)cnc3c2)cc1
InChIInChI=1S/C22H21N3/c1-22(2,3)19-6-4-16(5-7-19)18-10-13-25-20(15-24-21(25)14-18)17-8-11-23-12-9-17/h4-15H,1-3H3
InChIKeyCGHPALAGQJNBCF-UHFFFAOYSA-N
XLogP5.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine?
The IUPAC name of 7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine (CID 53393117) is 7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine is CC(C)(C)c1ccc(-c2ccn3c(-c4ccncc4)cnc3c2)cc1.
What is the InChIKey of 7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine?
The InChIKey is CGHPALAGQJNBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-22(2,3)19-6-4-16(5-7-19)18-10-13-25-20(15-24-21(25)14-18)17-8-11-23-12-9-17/h4-15H,1-3H3.
What are the key properties of 7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine?
7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine has a molecular weight of 327.43 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 53393117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).