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

C18H26N4OS — CID 97471270

IUPAC1-[(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
SMILESCC(C)N(C)Cc1cnc2n1CCN(C(=O)Cc1ccsc1)[C@@H]2C
InChIInChI=1S/C18H26N4OS/c1-13(2)20(4)11-16-10-19-18-14(3)21(6-7-22(16)18)17(23)9-15-5-8-24-12-15/h5,8,10,12-14H,6-7,9,11H2,1-4H3/t14-/m1/s1
InChIKeyZIOQJJCCSAJNEC-CQSZACIVSA-N
MW346.50 g/mol
LogP2.93
Rot. Bonds5

About 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

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 (PubChem CID 97471270) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID97471270
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-[(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
SMILESCC(C)N(C)Cc1cnc2n1CCN(C(=O)Cc1ccsc1)[C@@H]2C
InChIInChI=1S/C18H26N4OS/c1-13(2)20(4)11-16-10-19-18-14(3)21(6-7-22(16)18)17(23)9-15-5-8-24-12-15/h5,8,10,12-14H,6-7,9,11H2,1-4H3/t14-/m1/s1
InChIKeyZIOQJJCCSAJNEC-CQSZACIVSA-N
XLogP2.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 97421777
1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 118743049
[(8S)-8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-4-ylmethanone
CID 97384524
[(8R)-8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 97406839
(8R)-3-(methoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97421813
N-methyl-N-[[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine
CID 124547981
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 125014018
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
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
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 102738389
1-[(3aS,6aS)-1-[2-(dimethylamino)ethyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-thiophen-3-ylethanone
CID 97458892

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N(C)Cc1cnc2n1CCN(C(=O)Cc1ccsc1)[C@@H]2C.
What is the InChIKey of 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?
The InChIKey is ZIOQJJCCSAJNEC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13(2)20(4)11-16-10-19-18-14(3)21(6-7-22(16)18)17(23)9-15-5-8-24-12-15/h5,8,10,12-14H,6-7,9,11H2,1-4H3/t14-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 346.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 97471270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).