N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid

C19H25F3N4O4S — CID 155842911

IUPACN,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1ccsc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4O2S.C2HF3O2/c1-13-17-18-8-15(10-23-11-16(22)19(2)3)21(17)6-5-20(13)9-14-4-7-24-12-14;3-2(4,5)1(6)7/h4,7-8,12-13H,5-6,9-11H2,1-3H3;(H,6,7)
InChIKeyGDDSWQWKOVRPIF-UHFFFAOYSA-N
MW462.49 g/mol
LogP2.76
Rot. Bonds6

About N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155842911) has the molecular formula C19H25F3N4O4S and a molecular weight of 462.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155842911
Molecular FormulaC19H25F3N4O4S
Molecular Weight462.49 g/mol
Exact Mass462.15
IUPAC NameN,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1ccsc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4O2S.C2HF3O2/c1-13-17-18-8-15(10-23-11-16(22)19(2)3)21(17)6-5-20(13)9-14-4-7-24-12-14;3-2(4,5)1(6)7/h4,7-8,12-13H,5-6,9-11H2,1-3H3;(H,6,7)
InChIKeyGDDSWQWKOVRPIF-UHFFFAOYSA-N
XLogP2.76
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743047
N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745921
4-[[7-(Thiophen-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 118746179
N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118746407
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747085
N,N-dimethyl-2-[[8-(thiophen-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
CID 155825547
2-(pyrrolidin-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155825760
3-(cyclopropylmethoxymethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155838945
3-(methoxymethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155841172
N,N-dimethyl-2-[[8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
CID 155842936
N-ethyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155843193
morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 155848258

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid (CID 155842911) is N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is CC1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1ccsc1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is GDDSWQWKOVRPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.C2HF3O2/c1-13-17-18-8-15(10-23-11-16(22)19(2)3)21(17)6-5-20(13)9-14-4-7-24-12-14;3-2(4,5)1(6)7/h4,7-8,12-13H,5-6,9-11H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 462.49 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155842911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).