N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid

C17H25F3N6O4S — CID 155865595

IUPACN-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)NCC1CN(Cc2cc(C)nn2C)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N6O2S.C2HF3O2/c1-4-24(22,23)17-7-15-10-20(9-14-6-16-11-21(14)15)8-13-5-12(2)18-19(13)3;3-2(4,5)1(6)7/h5-6,11,15,17H,4,7-10H2,1-3H3;(H,6,7)
InChIKeyNRKGTMPFEKNHIZ-UHFFFAOYSA-N
MW466.49 g/mol
LogP1.05
Rot. Bonds6

About N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid

N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155865595) has the molecular formula C17H25F3N6O4S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155865595
Molecular FormulaC17H25F3N6O4S
Molecular Weight466.49 g/mol
Exact Mass466.16
IUPAC NameN-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)NCC1CN(Cc2cc(C)nn2C)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N6O2S.C2HF3O2/c1-4-24(22,23)17-7-15-10-20(9-14-6-16-11-21(14)15)8-13-5-12(2)18-19(13)3;3-2(4,5)1(6)7/h5-6,11,15,17H,4,7-10H2,1-3H3;(H,6,7)
InChIKeyNRKGTMPFEKNHIZ-UHFFFAOYSA-N
XLogP1.05
TPSA122.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid (CID 155865595) is N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid is CCS(=O)(=O)NCC1CN(Cc2cc(C)nn2C)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is NRKGTMPFEKNHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S.C2HF3O2/c1-4-24(22,23)17-7-15-10-20(9-14-6-16-11-21(14)15)8-13-5-12(2)18-19(13)3;3-2(4,5)1(6)7/h5-6,11,15,17H,4,7-10H2,1-3H3;(H,6,7).
What are the key properties of N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 466.49 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155865595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).