1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone

C17H14N4O2S — CID 126475511

IUPAC1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cnc3c(NCc4ccco4)nccn23)s1
InChIInChI=1S/C17H14N4O2S/c1-11(22)14-4-5-15(24-14)13-10-20-17-16(18-6-7-21(13)17)19-9-12-3-2-8-23-12/h2-8,10H,9H2,1H3,(H,18,19)
InChIKeyKVFRUCBZTPGHOO-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.87
Rot. Bonds5

About 1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone

1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone (PubChem CID 126475511) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone
PubChem CID126475511
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cnc3c(NCc4ccco4)nccn23)s1
InChIInChI=1S/C17H14N4O2S/c1-11(22)14-4-5-15(24-14)13-10-20-17-16(18-6-7-21(13)17)19-9-12-3-2-8-23-12/h2-8,10H,9H2,1H3,(H,18,19)
InChIKeyKVFRUCBZTPGHOO-UHFFFAOYSA-N
XLogP3.87
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone (CID 126475511) is 1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cnc3c(NCc4ccco4)nccn23)s1.
What is the InChIKey of 1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone?
The InChIKey is KVFRUCBZTPGHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-11(22)14-4-5-15(24-14)13-10-20-17-16(18-6-7-21(13)17)19-9-12-3-2-8-23-12/h2-8,10H,9H2,1H3,(H,18,19).
What are the key properties of 1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone?
1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone has a molecular weight of 338.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 126475511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).