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

C22H23F6N5O5S — CID 155824493

IUPAC2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
SMILESCC1c2ncc(COCc3ccccn3)n2CCN1Cc1nccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21N5OS.2C2HF3O2/c1-14-18-21-10-16(13-24-12-15-4-2-3-5-19-15)23(18)8-7-22(14)11-17-20-6-9-25-17;2*3-2(4,5)1(6)7/h2-6,9-10,14H,7-8,11-13H2,1H3;2*(H,6,7)
InChIKeyKNAZRDBVOSCUDS-UHFFFAOYSA-N
MW583.51 g/mol
LogP4.29
Rot. Bonds6

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

2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155824493) has the molecular formula C22H23F6N5O5S and a molecular weight of 583.51 g/mol. Its IUPAC name is 2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
PubChem CID155824493
Molecular FormulaC22H23F6N5O5S
Molecular Weight583.51 g/mol
Exact Mass583.13
IUPAC Name2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
SMILESCC1c2ncc(COCc3ccccn3)n2CCN1Cc1nccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21N5OS.2C2HF3O2/c1-14-18-21-10-16(13-24-12-15-4-2-3-5-19-15)23(18)8-7-22(14)11-17-20-6-9-25-17;2*3-2(4,5)1(6)7/h2-6,9-10,14H,7-8,11-13H2,1H3;2*(H,6,7)
InChIKeyKNAZRDBVOSCUDS-UHFFFAOYSA-N
XLogP4.29
TPSA130.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

CID 118747092
CID 118747092
CID 118742535
CID 118742535
CID 118745839
CID 118745839
CID 118746037
CID 118746037
CID 118746606
CID 118746606
CID 118747091
CID 118747091
CID 155825484
CID 155825484
CID 155826288
CID 155826288
CID 155829640
CID 155829640
CID 155831221
CID 155831221
CID 155831610
CID 155831610
CID 155832691
CID 155832691

Frequently Asked Questions

What is the IUPAC name of 2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (CID 155824493) is 2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is CC1c2ncc(COCc3ccccn3)n2CCN1Cc1nccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is KNAZRDBVOSCUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS.2C2HF3O2/c1-14-18-21-10-16(13-24-12-15-4-2-3-5-19-15)23(18)8-7-22(14)11-17-20-6-9-25-17;2*3-2(4,5)1(6)7/h2-6,9-10,14H,7-8,11-13H2,1H3;2*(H,6,7).
What are the key properties of 2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 583.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155824493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).