3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide

C21H18N4O2 — CID 137120130

IUPAC3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1
InChIInChI=1S/C21H18N4O2/c1-24(2)21(27)16-5-3-4-15(10-16)18-13-25-19(11-23-20(25)12-22-18)14-6-8-17(26)9-7-14/h3-13,26H,1-2H3
InChIKeyTYWGXMNDSKNDNL-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.47
Rot. Bonds3

About 3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide

3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide (PubChem CID 137120130) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide
PubChem CID137120130
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1
InChIInChI=1S/C21H18N4O2/c1-24(2)21(27)16-5-3-4-15(10-16)18-13-25-19(11-23-20(25)12-22-18)14-6-8-17(26)9-7-14/h3-13,26H,1-2H3
InChIKeyTYWGXMNDSKNDNL-UHFFFAOYSA-N
XLogP3.47
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide (CID 137120130) is 3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1.
What is the InChIKey of 3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide?
The InChIKey is TYWGXMNDSKNDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-24(2)21(27)16-5-3-4-15(10-16)18-13-25-19(11-23-20(25)12-22-18)14-6-8-17(26)9-7-14/h3-13,26H,1-2H3.
What are the key properties of 3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide?
3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 358.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 137120130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).