4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid

C20H25F3N6O3S — CID 155837743

IUPAC4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCCn1cc(CN2Cc3cncn3C(COCc3csc(C)n3)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N6OS.C2HF3O2/c1-3-23-7-15(4-20-23)6-22-8-17-5-19-13-24(17)18(9-22)11-25-10-16-12-26-14(2)21-16;3-2(4,5)1(6)7/h4-5,7,12-13,18H,3,6,8-11H2,1-2H3;(H,6,7)
InChIKeyDHBDSXXNYFCGHT-UHFFFAOYSA-N
MW486.52 g/mol
LogP3.27
Rot. Bonds7

About 4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid

4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 155837743) has the molecular formula C20H25F3N6O3S and a molecular weight of 486.52 g/mol. Its IUPAC name is 4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID155837743
Molecular FormulaC20H25F3N6O3S
Molecular Weight486.52 g/mol
Exact Mass486.17
IUPAC Name4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCCn1cc(CN2Cc3cncn3C(COCc3csc(C)n3)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N6OS.C2HF3O2/c1-3-23-7-15(4-20-23)6-22-8-17-5-19-13-24(17)18(9-22)11-25-10-16-12-26-14(2)21-16;3-2(4,5)1(6)7/h4-5,7,12-13,18H,3,6,8-11H2,1-2H3;(H,6,7)
InChIKeyDHBDSXXNYFCGHT-UHFFFAOYSA-N
XLogP3.27
TPSA98.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 155837743) is 4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is CCn1cc(CN2Cc3cncn3C(COCc3csc(C)n3)C2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is DHBDSXXNYFCGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS.C2HF3O2/c1-3-23-7-15(4-20-23)6-22-8-17-5-19-13-24(17)18(9-22)11-25-10-16-12-26-14(2)21-16;3-2(4,5)1(6)7/h4-5,7,12-13,18H,3,6,8-11H2,1-2H3;(H,6,7).
What are the key properties of 4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 486.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155837743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).