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

C19H25F3N4O4S — CID 155842936

IUPACN,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
SMILESCC1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1cccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4O2S.C2HF3O2/c1-13-17-18-9-14(11-23-12-16(22)19(2)3)21(17)7-6-20(13)10-15-5-4-8-24-15;3-2(4,5)1(6)7/h4-5,8-9,13H,6-7,10-12H2,1-3H3;(H,6,7)
InChIKeyBADRQOFBAUESMA-UHFFFAOYSA-N
MW462.49 g/mol
LogP2.76
Rot. Bonds6

About 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

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 (PubChem CID 155842936) 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-2-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-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155842936
Molecular FormulaC19H25F3N4O4S
Molecular Weight462.49 g/mol
Exact Mass462.15
IUPAC NameN,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
SMILESCC1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1cccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4O2S.C2HF3O2/c1-13-17-18-9-14(11-23-12-16(22)19(2)3)21(17)7-6-20(13)10-15-5-4-8-24-15;3-2(4,5)1(6)7/h4-5,8-9,13H,6-7,10-12H2,1-3H3;(H,6,7)
InChIKeyBADRQOFBAUESMA-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-2-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

1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
CID 118739130
3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743048
3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743047
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
N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745924
N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746016
3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747255
1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155825990
1-[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 155826573
3-methyl-4-(prop-2-enoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828210
N-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155830767
5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155831039

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1cccs1.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is BADRQOFBAUESMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.C2HF3O2/c1-13-17-18-9-14(11-23-12-16(22)19(2)3)21(17)7-6-20(13)10-15-5-4-8-24-15;3-2(4,5)1(6)7/h4-5,8-9,13H,6-7,10-12H2,1-3H3;(H,6,7).
What are the key properties of 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?
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 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-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155842936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).