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

C15H20N4O3S — CID 131695752

IUPAC8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2ncc(CCOc3cccnc3)n2CCN1S(C)(=O)=O
InChIInChI=1S/C15H20N4O3S/c1-12-15-17-10-13(5-9-22-14-4-3-6-16-11-14)18(15)7-8-19(12)23(2,20)21/h3-4,6,10-12H,5,7-9H2,1-2H3
InChIKeyIBADELOPJNUAAQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.24
Rot. Bonds5

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

8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 131695752) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID131695752
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2ncc(CCOc3cccnc3)n2CCN1S(C)(=O)=O
InChIInChI=1S/C15H20N4O3S/c1-12-15-17-10-13(5-9-22-14-4-3-6-16-11-14)18(15)7-8-19(12)23(2,20)21/h3-4,6,10-12H,5,7-9H2,1-2H3
InChIKeyIBADELOPJNUAAQ-UHFFFAOYSA-N
XLogP1.24
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421796
(8R)-8-methyl-3-(pyridin-3-yloxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 97475194
(8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97422078
N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 134070735
(8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97422049
cyclohexen-1-yl-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 118743846
(8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421987
2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118744278
[3-(2-ethoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 131695576
[3-(2-ethoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrazol-3-yl)methanone
CID 131694496
2-pyridin-3-yloxyethyl 4-methylbenzenesulfonate
CID 144959689
3-[2-(azetidin-3-yl)ethoxy]pyridine
CID 107391839

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 131695752) is 8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC1c2ncc(CCOc3cccnc3)n2CCN1S(C)(=O)=O.
What is the InChIKey of 8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is IBADELOPJNUAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-12-15-17-10-13(5-9-22-14-4-3-6-16-11-14)18(15)7-8-19(12)23(2,20)21/h3-4,6,10-12H,5,7-9H2,1-2H3.
What are the key properties of 8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 336.42 g/mol, XLogP of 1.24, 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-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 131695752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).