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

C20H27F3N4O3S — CID 118744104

IUPAC4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCc1nc(COCc2cnc3n2CCN(CC2CCC2)C3C)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N4OS.C2HF3O2/c1-13-18-19-8-17(11-23-10-16-12-24-14(2)20-16)22(18)7-6-21(13)9-15-4-3-5-15;3-2(4,5)1(6)7/h8,12-13,15H,3-7,9-11H2,1-2H3;(H,6,7)
InChIKeyDEUVTLCIGJZHGP-UHFFFAOYSA-N
MW460.52 g/mol
LogP4.17
Rot. Bonds6

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

4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 118744104) has the molecular formula C20H27F3N4O3S and a molecular weight of 460.52 g/mol. Its IUPAC name is 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID118744104
Molecular FormulaC20H27F3N4O3S
Molecular Weight460.52 g/mol
Exact Mass460.18
IUPAC Name4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCc1nc(COCc2cnc3n2CCN(CC2CCC2)C3C)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N4OS.C2HF3O2/c1-13-18-19-8-17(11-23-10-16-12-24-14(2)20-16)22(18)7-6-21(13)9-15-4-3-5-15;3-2(4,5)1(6)7/h8,12-13,15H,3-7,9-11H2,1-2H3;(H,6,7)
InChIKeyDEUVTLCIGJZHGP-UHFFFAOYSA-N
XLogP4.17
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 118739398
1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 118739725
2-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole
CID 118743112
4-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxymethyl]-2-methyl-1,3-thiazole
CID 118743396
4-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxymethyl]-2-methyl-1,3-thiazole
CID 118744103
4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole
CID 118744105
2-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743111
5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743113
5-[[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743133
4-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743395
4-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118744102
4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155825647

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 118744104) is 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is Cc1nc(COCc2cnc3n2CCN(CC2CCC2)C3C)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is DEUVTLCIGJZHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS.C2HF3O2/c1-13-18-19-8-17(11-23-10-16-12-24-14(2)20-16)22(18)7-6-21(13)9-15-4-3-5-15;3-2(4,5)1(6)7/h8,12-13,15H,3-7,9-11H2,1-2H3;(H,6,7).
What are the key properties of 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 460.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).