4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C29H23F3N4O2 — CID 155531677

IUPAC4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(OC)cc(-c2cnc3cnccn23)c1
InChIInChI=1S/C29H23F3N4O2/c1-3-18-7-8-19(28(37)35-23-6-4-5-22(15-23)29(30,31)32)14-25(18)20-11-21(13-24(12-20)38-2)26-16-34-27-17-33-9-10-36(26)27/h4-17H,3H2,1-2H3,(H,35,37)
InChIKeyDXOYCYZZJKPEAW-UHFFFAOYSA-N
MW516.52 g/mol
LogP6.91
Rot. Bonds6

About 4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide

4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 155531677) has the molecular formula C29H23F3N4O2 and a molecular weight of 516.52 g/mol. Its IUPAC name is 4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID155531677
Molecular FormulaC29H23F3N4O2
Molecular Weight516.52 g/mol
Exact Mass516.18
IUPAC Name4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(OC)cc(-c2cnc3cnccn23)c1
InChIInChI=1S/C29H23F3N4O2/c1-3-18-7-8-19(28(37)35-23-6-4-5-22(15-23)29(30,31)32)14-25(18)20-11-21(13-24(12-20)38-2)26-16-34-27-17-33-9-10-36(26)27/h4-17H,3H2,1-2H3,(H,35,37)
InChIKeyDXOYCYZZJKPEAW-UHFFFAOYSA-N
XLogP6.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.52
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 155531677) is 4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide is CCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(OC)cc(-c2cnc3cnccn23)c1.
What is the InChIKey of 4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DXOYCYZZJKPEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N4O2/c1-3-18-7-8-19(28(37)35-23-6-4-5-22(15-23)29(30,31)32)14-25(18)20-11-21(13-24(12-20)38-2)26-16-34-27-17-33-9-10-36(26)27/h4-17H,3H2,1-2H3,(H,35,37).
What are the key properties of 4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 516.52 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 155531677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).