(5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C17H23N3O4S — CID 124893501

IUPAC(5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCCOC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2OC)Cc2cncn21
InChIInChI=1S/C17H23N3O4S/c1-4-24-11-15-10-19(9-14-8-18-12-20(14)15)25(21,22)17-6-5-13(2)7-16(17)23-3/h5-8,12,15H,4,9-11H2,1-3H3/t15-/m0/s1
InChIKeyKRBPDFFUZMZTNA-HNNXBMFYSA-N
MW365.46 g/mol
LogP1.98
Rot. Bonds6

About (5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

(5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 124893501) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is (5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name(5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID124893501
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name(5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCCOC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2OC)Cc2cncn21
InChIInChI=1S/C17H23N3O4S/c1-4-24-11-15-10-19(9-14-8-18-12-20(14)15)25(21,22)17-6-5-13(2)7-16(17)23-3/h5-8,12,15H,4,9-11H2,1-3H3/t15-/m0/s1
InChIKeyKRBPDFFUZMZTNA-HNNXBMFYSA-N
XLogP1.98
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 131643049
1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine
CID 131639017
4-(2-methoxyethyl)-2-(2-methoxy-4-methylphenyl)sulfonyl-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 131695827
7-(2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 56896970
(3S,4S)-4-[(dimethylamino)methyl]-1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-3-ol
CID 131898784
(3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol
CID 72905567
3-ethylsulfonyl-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 121164660
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
(4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane
CID 135108128
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of (5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 124893501) is (5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for (5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for (5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CCOC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2OC)Cc2cncn21.
What is the InChIKey of (5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is KRBPDFFUZMZTNA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-4-24-11-15-10-19(9-14-8-18-12-20(14)15)25(21,22)17-6-5-13(2)7-16(17)23-3/h5-8,12,15H,4,9-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
(5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 365.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 124893501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).