8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine

C20H13FN4OS — CID 134211554

IUPAC8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
SMILESFc1cc(-c2nc(-c3cccs3)cn3cc(Cc4ccco4)nc23)ccn1
InChIInChI=1S/C20H13FN4OS/c21-18-9-13(5-6-22-18)19-20-23-14(10-15-3-1-7-26-15)11-25(20)12-16(24-19)17-4-2-8-27-17/h1-9,11-12H,10H2
InChIKeyKNPQISGCRVCINB-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.84
Rot. Bonds4

About 8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine

8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine (PubChem CID 134211554) has the molecular formula C20H13FN4OS and a molecular weight of 376.42 g/mol. Its IUPAC name is 8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
PubChem CID134211554
Molecular FormulaC20H13FN4OS
Molecular Weight376.42 g/mol
Exact Mass376.08
IUPAC Name8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
SMILESFc1cc(-c2nc(-c3cccs3)cn3cc(Cc4ccco4)nc23)ccn1
InChIInChI=1S/C20H13FN4OS/c21-18-9-13(5-6-22-18)19-20-23-14(10-15-3-1-7-26-15)11-25(20)12-16(24-19)17-4-2-8-27-17/h1-9,11-12H,10H2
InChIKeyKNPQISGCRVCINB-UHFFFAOYSA-N
XLogP4.84
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine (CID 134211554) is 8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine is Fc1cc(-c2nc(-c3cccs3)cn3cc(Cc4ccco4)nc23)ccn1.
What is the InChIKey of 8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine?
The InChIKey is KNPQISGCRVCINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4OS/c21-18-9-13(5-6-22-18)19-20-23-14(10-15-3-1-7-26-15)11-25(20)12-16(24-19)17-4-2-8-27-17/h1-9,11-12H,10H2.
What are the key properties of 8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine?
8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine has a molecular weight of 376.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 134211554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).