3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

C23H18N4OS — CID 155549782

IUPAC3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESc1ccc(Oc2ccccc2-c2cnc3c(NCc4cccs4)nccn23)cc1
InChIInChI=1S/C23H18N4OS/c1-2-7-17(8-3-1)28-21-11-5-4-10-19(21)20-16-26-23-22(24-12-13-27(20)23)25-15-18-9-6-14-29-18/h1-14,16H,15H2,(H,24,25)
InChIKeyJTMOZFBQNWWKBF-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.86
Rot. Bonds6

About 3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 155549782) has the molecular formula C23H18N4OS and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID155549782
Molecular FormulaC23H18N4OS
Molecular Weight398.49 g/mol
Exact Mass398.12
IUPAC Name3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESc1ccc(Oc2ccccc2-c2cnc3c(NCc4cccs4)nccn23)cc1
InChIInChI=1S/C23H18N4OS/c1-2-7-17(8-3-1)28-21-11-5-4-10-19(21)20-16-26-23-22(24-12-13-27(20)23)25-15-18-9-6-14-29-18/h1-14,16H,15H2,(H,24,25)
InChIKeyJTMOZFBQNWWKBF-UHFFFAOYSA-N
XLogP5.86
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine (CID 155549782) is 3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine is c1ccc(Oc2ccccc2-c2cnc3c(NCc4cccs4)nccn23)cc1.
What is the InChIKey of 3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is JTMOZFBQNWWKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS/c1-2-7-17(8-3-1)28-21-11-5-4-10-19(21)20-16-26-23-22(24-12-13-27(20)23)25-15-18-9-6-14-29-18/h1-14,16H,15H2,(H,24,25).
What are the key properties of 3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 398.49 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 155549782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).