4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide

C25H26N4O2 — CID 155561030

IUPAC4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide
SMILESCC(C)(C)c1ccc(-c2cnc3cnc(-c4ccc(C(=O)NCCO)cc4)cn23)cc1
InChIInChI=1S/C25H26N4O2/c1-25(2,3)20-10-8-18(9-11-20)22-14-28-23-15-27-21(16-29(22)23)17-4-6-19(7-5-17)24(31)26-12-13-30/h4-11,14-16,30H,12-13H2,1-3H3,(H,26,31)
InChIKeyYBLOWDCGELXQIL-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.08
Rot. Bonds5

About 4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide

4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide (PubChem CID 155561030) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide
PubChem CID155561030
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide
SMILESCC(C)(C)c1ccc(-c2cnc3cnc(-c4ccc(C(=O)NCCO)cc4)cn23)cc1
InChIInChI=1S/C25H26N4O2/c1-25(2,3)20-10-8-18(9-11-20)22-14-28-23-15-27-21(16-29(22)23)17-4-6-19(7-5-17)24(31)26-12-13-30/h4-11,14-16,30H,12-13H2,1-3H3,(H,26,31)
InChIKeyYBLOWDCGELXQIL-UHFFFAOYSA-N
XLogP4.08
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide (CID 155561030) is 4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide is CC(C)(C)c1ccc(-c2cnc3cnc(-c4ccc(C(=O)NCCO)cc4)cn23)cc1.
What is the InChIKey of 4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is YBLOWDCGELXQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-25(2,3)20-10-8-18(9-11-20)22-14-28-23-15-27-21(16-29(22)23)17-4-6-19(7-5-17)24(31)26-12-13-30/h4-11,14-16,30H,12-13H2,1-3H3,(H,26,31).
What are the key properties of 4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide?
4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-tert-butylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 155561030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).