1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine

C17H24N4O3S — CID 131639017

IUPAC1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine
SMILESCOc1cc(C)ccc1S(=O)(=O)N1Cc2cncn2C(CN(C)C)C1
InChIInChI=1S/C17H24N4O3S/c1-13-5-6-17(16(7-13)24-4)25(22,23)20-10-14-8-18-12-21(14)15(11-20)9-19(2)3/h5-8,12,15H,9-11H2,1-4H3
InChIKeyQEHSXVUJCPVYBD-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.51
Rot. Bonds5

About 1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine

1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine (PubChem CID 131639017) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine
PubChem CID131639017
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine
SMILESCOc1cc(C)ccc1S(=O)(=O)N1Cc2cncn2C(CN(C)C)C1
InChIInChI=1S/C17H24N4O3S/c1-13-5-6-17(16(7-13)24-4)25(22,23)20-10-14-8-18-12-21(14)15(11-20)9-19(2)3/h5-8,12,15H,9-11H2,1-4H3
InChIKeyQEHSXVUJCPVYBD-UHFFFAOYSA-N
XLogP1.51
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124893501
5-(ethoxymethyl)-7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 131643049
(3S,4S)-4-[(dimethylamino)methyl]-1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-3-ol
CID 131898784
4-(2-methoxyethyl)-2-(2-methoxy-4-methylphenyl)sulfonyl-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 131695827
(3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol
CID 72905567
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
7-(2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 56896970
(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
1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124819064
2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 172906645
3-ethylsulfonyl-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 121164660

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine (CID 131639017) is 1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine is COc1cc(C)ccc1S(=O)(=O)N1Cc2cncn2C(CN(C)C)C1.
What is the InChIKey of 1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine?
The InChIKey is QEHSXVUJCPVYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-13-5-6-17(16(7-13)24-4)25(22,23)20-10-14-8-18-12-21(14)15(11-20)9-19(2)3/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of 1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine?
1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine has a molecular weight of 364.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-methoxy-4-methylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 131639017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).