[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid

C16H19F3N4O3S — CID 155847035

IUPAC[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1cn2c(n1)CN(C(=O)c1ccsc1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4OS.C2HF3O2/c1-16(2)7-12-8-17-4-5-18(9-13(17)15-12)14(19)11-3-6-20-10-11;3-2(4,5)1(6)7/h3,6,8,10H,4-5,7,9H2,1-2H3;(H,6,7)
InChIKeyJJVMXQHSDLZSNV-UHFFFAOYSA-N
MW404.41 g/mol
LogP2.30
Rot. Bonds3

About [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid

[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155847035) has the molecular formula C16H19F3N4O3S and a molecular weight of 404.41 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155847035
Molecular FormulaC16H19F3N4O3S
Molecular Weight404.41 g/mol
Exact Mass404.11
IUPAC Name[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1cn2c(n1)CN(C(=O)c1ccsc1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4OS.C2HF3O2/c1-16(2)7-12-8-17-4-5-18(9-13(17)15-12)14(19)11-3-6-20-10-11;3-2(4,5)1(6)7/h3,6,8,10H,4-5,7,9H2,1-2H3;(H,6,7)
InChIKeyJJVMXQHSDLZSNV-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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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid (CID 155847035) is [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid is CN(C)Cc1cn2c(n1)CN(C(=O)c1ccsc1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is JJVMXQHSDLZSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.C2HF3O2/c1-16(2)7-12-8-17-4-5-18(9-13(17)15-12)14(19)11-3-6-20-10-11;3-2(4,5)1(6)7/h3,6,8,10H,4-5,7,9H2,1-2H3;(H,6,7).
What are the key properties of [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid?
[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;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 [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155847035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).