2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid

C18H24N4O5S — CID 155870642

IUPAC2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid
SMILESCC(C)N(C)CC(=O)N1CCn2c(-c3cccs3)cnc2C1.O=C(O)C(=O)O
InChIInChI=1S/C16H22N4OS.C2H2O4/c1-12(2)18(3)11-16(21)19-6-7-20-13(9-17-15(20)10-19)14-5-4-8-22-14;3-1(4)2(5)6/h4-5,8-9,12H,6-7,10-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyNDQUVLSGGTYVPB-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.45
Rot. Bonds4

About 2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid

2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid (PubChem CID 155870642) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid
PubChem CID155870642
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid
SMILESCC(C)N(C)CC(=O)N1CCn2c(-c3cccs3)cnc2C1.O=C(O)C(=O)O
InChIInChI=1S/C16H22N4OS.C2H2O4/c1-12(2)18(3)11-16(21)19-6-7-20-13(9-17-15(20)10-19)14-5-4-8-22-14;3-1(4)2(5)6/h4-5,8-9,12H,6-7,10-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyNDQUVLSGGTYVPB-UHFFFAOYSA-N
XLogP1.45
TPSA115.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]acetic acid;hydrochloride
CID 56813164
N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 139347526
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
CID 55470701
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
1-[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 131689696
2-[methyl-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 138019137
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62020846
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-3-phenylpentan-1-one
CID 146123854
N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97390202
2-[(3-amino-4-methylpentyl)-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 81496619
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
2-[methyl(propan-2-yl)amino]-1-(4-thiophen-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 131691389

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid (CID 155870642) is 2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid is CC(C)N(C)CC(=O)N1CCn2c(-c3cccs3)cnc2C1.O=C(O)C(=O)O.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid?
The InChIKey is NDQUVLSGGTYVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS.C2H2O4/c1-12(2)18(3)11-16(21)19-6-7-20-13(9-17-15(20)10-19)14-5-4-8-22-14;3-1(4)2(5)6/h4-5,8-9,12H,6-7,10-11H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid?
2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid has a molecular weight of 408.48 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid is sourced from PubChem (CID 155870642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).