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

C23H23N5O2 — CID 135316032

IUPACN-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)cc1
InChIInChI=1S/C23H23N5O2/c1-27(2)11-10-24-23(30)17-8-6-16(7-9-17)20-15-28-21(13-26-22(28)14-25-20)18-4-3-5-19(29)12-18/h3-9,12-15,29H,10-11H2,1-2H3,(H,24,30)
InChIKeyFUQJGFFIVJWEHQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.06
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 135316032) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID135316032
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)cc1
InChIInChI=1S/C23H23N5O2/c1-27(2)11-10-24-23(30)17-8-6-16(7-9-17)20-15-28-21(13-26-22(28)14-25-20)18-4-3-5-19(29)12-18/h3-9,12-15,29H,10-11H2,1-2H3,(H,24,30)
InChIKeyFUQJGFFIVJWEHQ-UHFFFAOYSA-N
XLogP3.06
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 135316032) is N-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is CN(C)CCNC(=O)c1ccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is FUQJGFFIVJWEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-27(2)11-10-24-23(30)17-8-6-16(7-9-17)20-15-28-21(13-26-22(28)14-25-20)18-4-3-5-19(29)12-18/h3-9,12-15,29H,10-11H2,1-2H3,(H,24,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 135316032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).