N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide

C16H19FN4O3S — CID 124784097

IUPACN-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2cncn21
InChIInChI=1S/C16H19FN4O3S/c1-25(23,24)19-8-15-10-20(9-14-7-18-11-21(14)15)16(22)6-12-2-4-13(17)5-3-12/h2-5,7,11,15,19H,6,8-10H2,1H3/t15-/m1/s1
InChIKeyYBSSPYHNRPSPHW-OAHLLOKOSA-N
MW366.42 g/mol
LogP0.70
Rot. Bonds5

About N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide

N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide (PubChem CID 124784097) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
PubChem CID124784097
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC NameN-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2cncn21
InChIInChI=1S/C16H19FN4O3S/c1-25(23,24)19-8-15-10-20(9-14-7-18-11-21(14)15)16(22)6-12-2-4-13(17)5-3-12/h2-5,7,11,15,19H,6,8-10H2,1H3/t15-/m1/s1
InChIKeyYBSSPYHNRPSPHW-OAHLLOKOSA-N
XLogP0.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[7-(cyclopentene-1-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 131639258
N-[[(5R)-7-(1-methylpyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124818038
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-[[(5R)-7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124782697
1-[5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 131661826
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
2-methylsulfonyl-1-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 133139399
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 124824224
2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155863702
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
(5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124915536

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide (CID 124784097) is N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2cncn21.
What is the InChIKey of N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide?
The InChIKey is YBSSPYHNRPSPHW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c1-25(23,24)19-8-15-10-20(9-14-7-18-11-21(14)15)16(22)6-12-2-4-13(17)5-3-12/h2-5,7,11,15,19H,6,8-10H2,1H3/t15-/m1/s1.
What are the key properties of N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide?
N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide has a molecular weight of 366.42 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124784097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).