8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C23H24F6N4O5S — CID 155831610

IUPAC8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCC1c2ncc(COCc3ccncc3)n2CCN1Cc1cccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N4OS.2C2HF3O2/c1-15-19-21-11-17(14-24-13-16-4-6-20-7-5-16)23(19)9-8-22(15)12-18-3-2-10-25-18;2*3-2(4,5)1(6)7/h2-7,10-11,15H,8-9,12-14H2,1H3;2*(H,6,7)
InChIKeyOSPBCYBHTBDDAK-UHFFFAOYSA-N
MW582.52 g/mol
LogP4.90
Rot. Bonds6

About 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155831610) has the molecular formula C23H24F6N4O5S and a molecular weight of 582.52 g/mol. Its IUPAC name is 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155831610
Molecular FormulaC23H24F6N4O5S
Molecular Weight582.52 g/mol
Exact Mass582.14
IUPAC Name8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCC1c2ncc(COCc3ccncc3)n2CCN1Cc1cccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N4OS.2C2HF3O2/c1-15-19-21-11-17(14-24-13-16-4-6-20-7-5-16)23(19)9-8-22(15)12-18-3-2-10-25-18;2*3-2(4,5)1(6)7/h2-7,10-11,15H,8-9,12-14H2,1H3;2*(H,6,7)
InChIKeyOSPBCYBHTBDDAK-UHFFFAOYSA-N
XLogP4.90
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155831610) is 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is CC1c2ncc(COCc3ccncc3)n2CCN1Cc1cccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is OSPBCYBHTBDDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS.2C2HF3O2/c1-15-19-21-11-17(14-24-13-16-4-6-20-7-5-16)23(19)9-8-22(15)12-18-3-2-10-25-18;2*3-2(4,5)1(6)7/h2-7,10-11,15H,8-9,12-14H2,1H3;2*(H,6,7).
What are the key properties of 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 582.52 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155831610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).