N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide

C18H26N4O3S — CID 131661248

IUPACN-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CN(CCOCc2ccccc2)Cc2cncn21
InChIInChI=1S/C18H26N4O3S/c1-2-26(23,24)20-11-18-13-21(12-17-10-19-15-22(17)18)8-9-25-14-16-6-4-3-5-7-16/h3-7,10,15,18,20H,2,8-9,11-14H2,1H3
InChIKeyBBHCUZWXOICCPJ-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.40
Rot. Bonds9

About N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide

N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide (PubChem CID 131661248) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide
PubChem CID131661248
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CN(CCOCc2ccccc2)Cc2cncn21
InChIInChI=1S/C18H26N4O3S/c1-2-26(23,24)20-11-18-13-21(12-17-10-19-15-22(17)18)8-9-25-14-16-6-4-3-5-7-16/h3-7,10,15,18,20H,2,8-9,11-14H2,1H3
InChIKeyBBHCUZWXOICCPJ-UHFFFAOYSA-N
XLogP1.40
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide with MolForge

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Related Compounds

6-(methoxymethyl)-8-(2-phenylmethoxyethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 131642905
N-[[(5R)-7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124782697
(7R)-7-(methoxymethyl)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124796899
N-[[(5R)-7-(1-methylpyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124818038
N-[[(5S)-7-[2-(2-methylphenoxy)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124806194
5-(2-phenylmethoxyethyl)-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133137057
N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124810265
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
(7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124913707
N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124784097
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
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061

Frequently Asked Questions

What is the IUPAC name of N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide (CID 131661248) is N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CN(CCOCc2ccccc2)Cc2cncn21.
What is the InChIKey of N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide?
The InChIKey is BBHCUZWXOICCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-2-26(23,24)20-11-18-13-21(12-17-10-19-15-22(17)18)8-9-25-14-16-6-4-3-5-7-16/h3-7,10,15,18,20H,2,8-9,11-14H2,1H3.
What are the key properties of N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide?
N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2-phenylmethoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 131661248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).