7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C11H11ClN4O2S — CID 55149786

IUPAC7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccnc(Cl)c1)N1CCn2ccnc2C1
InChIInChI=1S/C11H11ClN4O2S/c12-10-7-9(1-2-13-10)19(17,18)16-6-5-15-4-3-14-11(15)8-16/h1-4,7H,5-6,8H2
InChIKeyHAQHLKKQLZFIIY-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.14
Rot. Bonds2

About 7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 55149786) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.75 g/mol. Its IUPAC name is 7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID55149786
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.75 g/mol
Exact Mass298.03
IUPAC Name7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccnc(Cl)c1)N1CCn2ccnc2C1
InChIInChI=1S/C11H11ClN4O2S/c12-10-7-9(1-2-13-10)19(17,18)16-6-5-15-4-3-14-11(15)8-16/h1-4,7H,5-6,8H2
InChIKeyHAQHLKKQLZFIIY-UHFFFAOYSA-N
XLogP1.14
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 55149786) is 7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is O=S(=O)(c1ccnc(Cl)c1)N1CCn2ccnc2C1.
What is the InChIKey of 7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is HAQHLKKQLZFIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c12-10-7-9(1-2-13-10)19(17,18)16-6-5-15-4-3-14-11(15)8-16/h1-4,7H,5-6,8H2.
What are the key properties of 7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 298.75 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 55149786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).