1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid

C19H21F3N6O3S — CID 155846199

IUPAC1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccsc2)CC3)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H20N6OS.C2HF3O2/c1-21-9-14(6-19-21)17(24)18-7-15-10-23-4-3-22(11-16(23)20-15)8-13-2-5-25-12-13;3-2(4,5)1(6)7/h2,5-6,9-10,12H,3-4,7-8,11H2,1H3,(H,18,24);(H,6,7)
InChIKeyVDSJALMNSMMODQ-UHFFFAOYSA-N
MW470.48 g/mol
LogP2.26
Rot. Bonds5

About 1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid

1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155846199) has the molecular formula C19H21F3N6O3S and a molecular weight of 470.48 g/mol. Its IUPAC name is 1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155846199
Molecular FormulaC19H21F3N6O3S
Molecular Weight470.48 g/mol
Exact Mass470.13
IUPAC Name1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccsc2)CC3)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H20N6OS.C2HF3O2/c1-21-9-14(6-19-21)17(24)18-7-15-10-23-4-3-22(11-16(23)20-15)8-13-2-5-25-12-13;3-2(4,5)1(6)7/h2,5-6,9-10,12H,3-4,7-8,11H2,1H3,(H,18,24);(H,6,7)
InChIKeyVDSJALMNSMMODQ-UHFFFAOYSA-N
XLogP2.26
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155846199) is 1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid is Cn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccsc2)CC3)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VDSJALMNSMMODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS.C2HF3O2/c1-21-9-14(6-19-21)17(24)18-7-15-10-23-4-3-22(11-16(23)20-15)8-13-2-5-25-12-13;3-2(4,5)1(6)7/h2,5-6,9-10,12H,3-4,7-8,11H2,1H3,(H,18,24);(H,6,7).
What are the key properties of 1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 470.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155846199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).