N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

C15H21F3N6O4S — CID 155839774

IUPACN-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(CN2CCn3cc(CNS(C)(=O)=O)nc3C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N6O2S.C2HF3O2/c1-17-7-11(5-14-17)8-18-3-4-19-9-12(16-13(19)10-18)6-15-22(2,20)21;3-2(4,5)1(6)7/h5,7,9,15H,3-4,6,8,10H2,1-2H3;(H,6,7)
InChIKeyIAIBQKPEQGODFV-UHFFFAOYSA-N
MW438.43 g/mol
LogP0.31
Rot. Bonds5

About N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155839774) has the molecular formula C15H21F3N6O4S and a molecular weight of 438.43 g/mol. Its IUPAC name is N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155839774
Molecular FormulaC15H21F3N6O4S
Molecular Weight438.43 g/mol
Exact Mass438.13
IUPAC NameN-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(CN2CCn3cc(CNS(C)(=O)=O)nc3C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N6O2S.C2HF3O2/c1-17-7-11(5-14-17)8-18-3-4-19-9-12(16-13(19)10-18)6-15-22(2,20)21;3-2(4,5)1(6)7/h5,7,9,15H,3-4,6,8,10H2,1-2H3;(H,6,7)
InChIKeyIAIBQKPEQGODFV-UHFFFAOYSA-N
XLogP0.31
TPSA122.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155839774) is N-[[7-[(1-methylpyrazol-4-yl)methyl]-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-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is Cn1cc(CN2CCn3cc(CNS(C)(=O)=O)nc3C2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is IAIBQKPEQGODFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2S.C2HF3O2/c1-17-7-11(5-14-17)8-18-3-4-19-9-12(16-13(19)10-18)6-15-22(2,20)21;3-2(4,5)1(6)7/h5,7,9,15H,3-4,6,8,10H2,1-2H3;(H,6,7).
What are the key properties of N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 438.43 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155839774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).