6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine

C12H15FN4S — CID 145187288

IUPAC6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine
SMILESCSc1nc(N2CCC(F)C2)cn2c(C)cnc12
InChIInChI=1S/C12H15FN4S/c1-8-5-14-11-12(18-2)15-10(7-17(8)11)16-4-3-9(13)6-16/h5,7,9H,3-4,6H2,1-2H3
InChIKeyMNSZENNDAATBQX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.31
Rot. Bonds2

About 6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine

6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine (PubChem CID 145187288) has the molecular formula C12H15FN4S and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine
PubChem CID145187288
Molecular FormulaC12H15FN4S
Molecular Weight266.34 g/mol
Exact Mass266.10
IUPAC Name6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine
SMILESCSc1nc(N2CCC(F)C2)cn2c(C)cnc12
InChIInChI=1S/C12H15FN4S/c1-8-5-14-11-12(18-2)15-10(7-17(8)11)16-4-3-9(13)6-16/h5,7,9H,3-4,6H2,1-2H3
InChIKeyMNSZENNDAATBQX-UHFFFAOYSA-N
XLogP2.31
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine?
The IUPAC name of 6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine (CID 145187288) is 6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine is CSc1nc(N2CCC(F)C2)cn2c(C)cnc12.
What is the InChIKey of 6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine?
The InChIKey is MNSZENNDAATBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4S/c1-8-5-14-11-12(18-2)15-10(7-17(8)11)16-4-3-9(13)6-16/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine?
6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine has a molecular weight of 266.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropyrrolidin-1-yl)-3-methyl-8-methylsulfanylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 145187288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).