1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide

C11H15F3N4O3S — CID 167901659

IUPAC1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide
SMILESCc1cnc2n1CCN(C(=O)CCNS(=O)(=O)C(F)(F)F)C2
InChIInChI=1S/C11H15F3N4O3S/c1-8-6-15-9-7-17(4-5-18(8)9)10(19)2-3-16-22(20,21)11(12,13)14/h6,16H,2-5,7H2,1H3
InChIKeyVASTYKMNHCZBGX-UHFFFAOYSA-N
MW340.33 g/mol
LogP0.36
Rot. Bonds4

About 1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide

1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 167901659) has the molecular formula C11H15F3N4O3S and a molecular weight of 340.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide
PubChem CID167901659
Molecular FormulaC11H15F3N4O3S
Molecular Weight340.33 g/mol
Exact Mass340.08
IUPAC Name1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide
SMILESCc1cnc2n1CCN(C(=O)CCNS(=O)(=O)C(F)(F)F)C2
InChIInChI=1S/C11H15F3N4O3S/c1-8-6-15-9-7-17(4-5-18(8)9)10(19)2-3-16-22(20,21)11(12,13)14/h6,16H,2-5,7H2,1H3
InChIKeyVASTYKMNHCZBGX-UHFFFAOYSA-N
XLogP0.36
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide (CID 167901659) is 1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide is Cc1cnc2n1CCN(C(=O)CCNS(=O)(=O)C(F)(F)F)C2.
What is the InChIKey of 1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is VASTYKMNHCZBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3S/c1-8-6-15-9-7-17(4-5-18(8)9)10(19)2-3-16-22(20,21)11(12,13)14/h6,16H,2-5,7H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide?
1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 340.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 167901659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).