1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone

C15H19N3O2S — CID 97421777

IUPAC1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
SMILESCOCc1cnc2n1CCN(C(=O)Cc1ccsc1)[C@@H]2C
InChIInChI=1S/C15H19N3O2S/c1-11-15-16-8-13(9-20-2)18(15)5-4-17(11)14(19)7-12-3-6-21-10-12/h3,6,8,10-11H,4-5,7,9H2,1-2H3/t11-/m1/s1
InChIKeyWGEUDFWMWYFEDA-LLVKDONJSA-N
MW305.40 g/mol
LogP2.24
Rot. Bonds4

About 1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone

1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone (PubChem CID 97421777) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
PubChem CID97421777
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
SMILESCOCc1cnc2n1CCN(C(=O)Cc1ccsc1)[C@@H]2C
InChIInChI=1S/C15H19N3O2S/c1-11-15-16-8-13(9-20-2)18(15)5-4-17(11)14(19)7-12-3-6-21-10-12/h3,6,8,10-11H,4-5,7,9H2,1-2H3/t11-/m1/s1
InChIKeyWGEUDFWMWYFEDA-LLVKDONJSA-N
XLogP2.24
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(8R)-8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 97471270
(8R)-3-(methoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97421813
[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-3-pyridinyl)methanone
CID 131644098
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 102738389
2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid
CID 106742061
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118747086
(8R)-8-methyl-3-(pyridin-2-ylmethoxymethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97474204
2-cyclopropyl-1-[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 131644046
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
[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone
CID 97474179
tert-butyl (3S)-3-methyl-4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate
CID 97176946

Frequently Asked Questions

What is the IUPAC name of 1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone (CID 97421777) is 1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone is COCc1cnc2n1CCN(C(=O)Cc1ccsc1)[C@@H]2C.
What is the InChIKey of 1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The InChIKey is WGEUDFWMWYFEDA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-15-16-8-13(9-20-2)18(15)5-4-17(11)14(19)7-12-3-6-21-10-12/h3,6,8,10-11H,4-5,7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone has a molecular weight of 305.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 97421777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).