8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C23H24F6N4O5S — CID 118746610

IUPAC8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCc1ccsc1CN1CCn2c(COc3cccnc3)cnc2C1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N4OS.2C2HF3O2/c1-14-5-9-25-18(14)12-22-7-8-23-16(10-21-19(23)15(22)2)13-24-17-4-3-6-20-11-17;2*3-2(4,5)1(6)7/h3-6,9-11,15H,7-8,12-13H2,1-2H3;2*(H,6,7)
InChIKeyPRLINEGLPUAICS-UHFFFAOYSA-N
MW582.52 g/mol
LogP5.07
Rot. Bonds5

About 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746610) has the molecular formula C23H24F6N4O5S and a molecular weight of 582.52 g/mol. Its IUPAC name is 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746610
Molecular FormulaC23H24F6N4O5S
Molecular Weight582.52 g/mol
Exact Mass582.14
IUPAC Name8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCc1ccsc1CN1CCn2c(COc3cccnc3)cnc2C1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N4OS.2C2HF3O2/c1-14-5-9-25-18(14)12-22-7-8-23-16(10-21-19(23)15(22)2)13-24-17-4-3-6-20-11-17;2*3-2(4,5)1(6)7/h3-6,9-11,15H,7-8,12-13H2,1-2H3;2*(H,6,7)
InChIKeyPRLINEGLPUAICS-UHFFFAOYSA-N
XLogP5.07
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 118746610) is 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is Cc1ccsc1CN1CCn2c(COc3cccnc3)cnc2C1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is PRLINEGLPUAICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS.2C2HF3O2/c1-14-5-9-25-18(14)12-22-7-8-23-16(10-21-19(23)15(22)2)13-24-17-4-3-6-20-11-17;2*3-2(4,5)1(6)7/h3-6,9-11,15H,7-8,12-13H2,1-2H3;2*(H,6,7).
What are the key properties of 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-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 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).