7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C12H20N4O2S — CID 97467389

IUPAC7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCS(=O)(=O)N1CCn2cc(CN3CCCC3)nc2C1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)16-7-6-15-9-11(13-12(15)10-16)8-14-4-2-3-5-14/h9H,2-8,10H2,1H3
InChIKeyGGMSGKZPKJABII-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.25
Rot. Bonds3

About 7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97467389) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97467389
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCS(=O)(=O)N1CCn2cc(CN3CCCC3)nc2C1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)16-7-6-15-9-11(13-12(15)10-16)8-14-4-2-3-5-14/h9H,2-8,10H2,1H3
InChIKeyGGMSGKZPKJABII-UHFFFAOYSA-N
XLogP0.25
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97467389) is 7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CS(=O)(=O)N1CCn2cc(CN3CCCC3)nc2C1.
What is the InChIKey of 7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is GGMSGKZPKJABII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-19(17,18)16-7-6-15-9-11(13-12(15)10-16)8-14-4-2-3-5-14/h9H,2-8,10H2,1H3.
What are the key properties of 7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 284.38 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97467389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).