N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid

C16H19F3N4O3S — CID 118745011

IUPACN,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)c1cnc2n1CCN(Cc1ccsc1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4OS.C2HF3O2/c1-16(2)14(19)12-7-15-13-9-17(4-5-18(12)13)8-11-3-6-20-10-11;3-2(4,5)1(6)7/h3,6-7,10H,4-5,8-9H2,1-2H3;(H,6,7)
InChIKeyHCLIARZTFREGNB-UHFFFAOYSA-N
MW404.41 g/mol
LogP2.30
Rot. Bonds3

About N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118745011) has the molecular formula C16H19F3N4O3S and a molecular weight of 404.41 g/mol. Its IUPAC name is N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118745011
Molecular FormulaC16H19F3N4O3S
Molecular Weight404.41 g/mol
Exact Mass404.11
IUPAC NameN,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)c1cnc2n1CCN(Cc1ccsc1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4OS.C2HF3O2/c1-16(2)14(19)12-7-15-13-9-17(4-5-18(12)13)8-11-3-6-20-10-11;3-2(4,5)1(6)7/h3,6-7,10H,4-5,8-9H2,1-2H3;(H,6,7)
InChIKeyHCLIARZTFREGNB-UHFFFAOYSA-N
XLogP2.30
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10858362, Example 79
CID 122652355
N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97468750
N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 118743366
1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 118743636
1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 118743650
1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 118743658
1-[2-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 118744174
N,N-dimethyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118745402
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
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
(5S)-N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124236181

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 118745011) is N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)c1cnc2n1CCN(Cc1ccsc1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HCLIARZTFREGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.C2HF3O2/c1-16(2)14(19)12-7-15-13-9-17(4-5-18(12)13)8-11-3-6-20-10-11;3-2(4,5)1(6)7/h3,6-7,10H,4-5,8-9H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 404.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118745011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).