8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C15H25N3O4S — CID 118739000

IUPAC8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2ncc(COCC3CCOCC3)n2CCN1S(C)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-12-15-16-9-14(11-22-10-13-3-7-21-8-4-13)17(15)5-6-18(12)23(2,19)20/h9,12-13H,3-8,10-11H2,1-2H3
InChIKeyFIFDRWMTAKWUNE-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.16
Rot. Bonds5

About 8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 118739000) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID118739000
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2ncc(COCC3CCOCC3)n2CCN1S(C)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-12-15-16-9-14(11-22-10-13-3-7-21-8-4-13)17(15)5-6-18(12)23(2,19)20/h9,12-13H,3-8,10-11H2,1-2H3
InChIKeyFIFDRWMTAKWUNE-UHFFFAOYSA-N
XLogP1.16
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
CID 118738848
3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
CID 118738854
3-(methoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
CID 118738866
7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118739007
3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118742725
8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118742735
8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118742734
[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone
CID 131641844
3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131663876
3-methyl-5-propan-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 171801464
(8R)-3-(methoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
CID 97421817
(8S)-3-(methoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
CID 97421818

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 118739000) is 8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC1c2ncc(COCC3CCOCC3)n2CCN1S(C)(=O)=O.
What is the InChIKey of 8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is FIFDRWMTAKWUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-12-15-16-9-14(11-22-10-13-3-7-21-8-4-13)17(15)5-6-18(12)23(2,19)20/h9,12-13H,3-8,10-11H2,1-2H3.
What are the key properties of 8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 343.45 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 118739000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).