N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

C16H22F3N5O5S — CID 155837781

IUPACN-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1CN1Cc2cncn2C(CNS(C)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N5O3S.C2HF3O2/c1-10-14(11(2)22-17-10)8-18-6-12-4-15-9-19(12)13(7-18)5-16-23(3,20)21;3-2(4,5)1(6)7/h4,9,13,16H,5-8H2,1-3H3;(H,6,7)
InChIKeyMFLGNLRXZYIYCE-UHFFFAOYSA-N
MW453.44 g/mol
LogP1.23
Rot. Bonds5

About N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155837781) has the molecular formula C16H22F3N5O5S and a molecular weight of 453.44 g/mol. Its IUPAC name is N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155837781
Molecular FormulaC16H22F3N5O5S
Molecular Weight453.44 g/mol
Exact Mass453.13
IUPAC NameN-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1CN1Cc2cncn2C(CNS(C)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N5O3S.C2HF3O2/c1-10-14(11(2)22-17-10)8-18-6-12-4-15-9-19(12)13(7-18)5-16-23(3,20)21;3-2(4,5)1(6)7/h4,9,13,16H,5-8H2,1-3H3;(H,6,7)
InChIKeyMFLGNLRXZYIYCE-UHFFFAOYSA-N
XLogP1.23
TPSA130.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 131646145
N-[[7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 131649607
N-[[(5R)-7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124782697
N-cyclobutyl-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155863742
2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 155851845
N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124784097
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155826204
N-[2-[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155864436
N-[[5-[(3,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155865427
N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide
CID 124783643
4-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155840703
4-[[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 171685867

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155837781) is N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is Cc1noc(C)c1CN1Cc2cncn2C(CNS(C)(=O)=O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is MFLGNLRXZYIYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S.C2HF3O2/c1-10-14(11(2)22-17-10)8-18-6-12-4-15-9-19(12)13(7-18)5-16-23(3,20)21;3-2(4,5)1(6)7/h4,9,13,16H,5-8H2,1-3H3;(H,6,7).
What are the key properties of N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 453.44 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155837781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).