6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone

C11H10IN3OS — CID 78962821

IUPAC6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCn2ccnc2C1
InChIInChI=1S/C11H10IN3OS/c12-9-5-8(7-17-9)11(16)15-4-3-14-2-1-13-10(14)6-15/h1-2,5,7H,3-4,6H2
InChIKeyIYLGDQIBHKFJHO-UHFFFAOYSA-N
MW359.19 g/mol
LogP2.21
Rot. Bonds1

About 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone

6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone (PubChem CID 78962821) has the molecular formula C11H10IN3OS and a molecular weight of 359.19 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone
PubChem CID78962821
Molecular FormulaC11H10IN3OS
Molecular Weight359.19 g/mol
Exact Mass358.96
IUPAC Name6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCn2ccnc2C1
InChIInChI=1S/C11H10IN3OS/c12-9-5-8(7-17-9)11(16)15-4-3-14-2-1-13-10(14)6-15/h1-2,5,7H,3-4,6H2
InChIKeyIYLGDQIBHKFJHO-UHFFFAOYSA-N
XLogP2.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone (CID 78962821) is 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)N1CCn2ccnc2C1.
What is the InChIKey of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone?
The InChIKey is IYLGDQIBHKFJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3OS/c12-9-5-8(7-17-9)11(16)15-4-3-14-2-1-13-10(14)6-15/h1-2,5,7H,3-4,6H2.
What are the key properties of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone?
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone has a molecular weight of 359.19 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 78962821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).