N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

C16H21F3N6O4S — CID 155831113

IUPACN-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCCc1cnc(N2CCn3cc(CNS(C)(=O)=O)nc3C2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N6O2S.C2HF3O2/c1-3-11-6-15-14(16-7-11)20-5-4-19-9-12(18-13(19)10-20)8-17-23(2,21)22;3-2(4,5)1(6)7/h6-7,9,17H,3-5,8,10H2,1-2H3;(H,6,7)
InChIKeyWBWXTXDCEFRFND-UHFFFAOYSA-N
MW450.44 g/mol
LogP0.94
Rot. Bonds5

About N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155831113) has the molecular formula C16H21F3N6O4S and a molecular weight of 450.44 g/mol. Its IUPAC name is N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155831113
Molecular FormulaC16H21F3N6O4S
Molecular Weight450.44 g/mol
Exact Mass450.13
IUPAC NameN-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCCc1cnc(N2CCn3cc(CNS(C)(=O)=O)nc3C2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N6O2S.C2HF3O2/c1-3-11-6-15-14(16-7-11)20-5-4-19-9-12(18-13(19)10-20)8-17-23(2,21)22;3-2(4,5)1(6)7/h6-7,9,17H,3-5,8,10H2,1-2H3;(H,6,7)
InChIKeyWBWXTXDCEFRFND-UHFFFAOYSA-N
XLogP0.94
TPSA130.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155831113) is N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is CCc1cnc(N2CCn3cc(CNS(C)(=O)=O)nc3C2)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is WBWXTXDCEFRFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S.C2HF3O2/c1-3-11-6-15-14(16-7-11)20-5-4-19-9-12(18-13(19)10-20)8-17-23(2,21)22;3-2(4,5)1(6)7/h6-7,9,17H,3-5,8,10H2,1-2H3;(H,6,7).
What are the key properties of N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 450.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(5-ethylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).