[(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone

C18H17N3O2S — CID 124987765

IUPAC[(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone
SMILESCOc1cccc([C@@H]2Cn3ccnc3CN2C(=O)c2cccs2)c1
InChIInChI=1S/C18H17N3O2S/c1-23-14-5-2-4-13(10-14)15-11-20-8-7-19-17(20)12-21(15)18(22)16-6-3-9-24-16/h2-10,15H,11-12H2,1H3/t15-/m0/s1
InChIKeyOIKIJVWHSFJWPK-HNNXBMFYSA-N
MW339.42 g/mol
LogP3.35
Rot. Bonds3

About [(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone

[(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone (PubChem CID 124987765) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is [(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone
PubChem CID124987765
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name[(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone
SMILESCOc1cccc([C@@H]2Cn3ccnc3CN2C(=O)c2cccs2)c1
InChIInChI=1S/C18H17N3O2S/c1-23-14-5-2-4-13(10-14)15-11-20-8-7-19-17(20)12-21(15)18(22)16-6-3-9-24-16/h2-10,15H,11-12H2,1H3/t15-/m0/s1
InChIKeyOIKIJVWHSFJWPK-HNNXBMFYSA-N
XLogP3.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone (CID 124987765) is [(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone is COc1cccc([C@@H]2Cn3ccnc3CN2C(=O)c2cccs2)c1.
What is the InChIKey of [(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone?
The InChIKey is OIKIJVWHSFJWPK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-14-5-2-4-13(10-14)15-11-20-8-7-19-17(20)12-21(15)18(22)16-6-3-9-24-16/h2-10,15H,11-12H2,1H3/t15-/m0/s1.
What are the key properties of [(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone?
[(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone has a molecular weight of 339.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 124987765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).