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

C16H24N4O3S — CID 124782333

IUPACN-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2cncn21
InChIInChI=1S/C16H24N4O3S/c1-24(22,23)18-9-15-11-19(10-14-8-17-12-20(14)15)16(21)7-13-5-3-2-4-6-13/h5,8,12,15,18H,2-4,6-7,9-11H2,1H3/t15-/m0/s1
InChIKeyGKOHQBZVRUNCFJ-HNNXBMFYSA-N
MW352.46 g/mol
LogP1.21
Rot. Bonds5

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

N-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide (PubChem CID 124782333) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
PubChem CID124782333
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2cncn21
InChIInChI=1S/C16H24N4O3S/c1-24(22,23)18-9-15-11-19(10-14-8-17-12-20(14)15)16(21)7-13-5-3-2-4-6-13/h5,8,12,15,18H,2-4,6-7,9-11H2,1H3/t15-/m0/s1
InChIKeyGKOHQBZVRUNCFJ-HNNXBMFYSA-N
XLogP1.21
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide 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-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide (CID 124782333) is N-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2cncn21.
What is the InChIKey of N-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide?
The InChIKey is GKOHQBZVRUNCFJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-24(22,23)18-9-15-11-19(10-14-8-17-12-20(14)15)16(21)7-13-5-3-2-4-6-13/h5,8,12,15,18H,2-4,6-7,9-11H2,1H3/t15-/m0/s1.
What are the key properties of N-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide?
N-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-7-[2-(cyclohexen-1-yl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124782333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).