3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine

C22H21N3O — CID 162644908

IUPAC3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine
SMILESCOc1ccc(-c2cnc3cnc(-c4ccc(C(C)C)cc4)cn23)cc1
InChIInChI=1S/C22H21N3O/c1-15(2)16-4-6-17(7-5-16)20-14-25-21(12-24-22(25)13-23-20)18-8-10-19(26-3)11-9-18/h4-15H,1-3H3
InChIKeyQQBXCXABKWTKBZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.20
Rot. Bonds4

About 3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine

3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine (PubChem CID 162644908) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine
PubChem CID162644908
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine
SMILESCOc1ccc(-c2cnc3cnc(-c4ccc(C(C)C)cc4)cn23)cc1
InChIInChI=1S/C22H21N3O/c1-15(2)16-4-6-17(7-5-16)20-14-25-21(12-24-22(25)13-23-20)18-8-10-19(26-3)11-9-18/h4-15H,1-3H3
InChIKeyQQBXCXABKWTKBZ-UHFFFAOYSA-N
XLogP5.20
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine (CID 162644908) is 3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine is COc1ccc(-c2cnc3cnc(-c4ccc(C(C)C)cc4)cn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is QQBXCXABKWTKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15(2)16-4-6-17(7-5-16)20-14-25-21(12-24-22(25)13-23-20)18-8-10-19(26-3)11-9-18/h4-15H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine?
3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 343.43 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 162644908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).