3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid

C20H28F3N5O3 — CID 118744593

IUPAC3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1CN1CCn2cc(CN3CCCCC3)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N5O.C2HF3O2/c1-14-17(15(2)24-20-14)12-22-8-9-23-11-16(19-18(23)13-22)10-21-6-4-3-5-7-21;3-2(4,5)1(6)7/h11H,3-10,12-13H2,1-2H3;(H,6,7)
InChIKeyFGDLFBXQEIJMOT-UHFFFAOYSA-N
MW443.47 g/mol
LogP3.12
Rot. Bonds4

About 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid

3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid (PubChem CID 118744593) has the molecular formula C20H28F3N5O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
PubChem CID118744593
Molecular FormulaC20H28F3N5O3
Molecular Weight443.47 g/mol
Exact Mass443.21
IUPAC Name3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1CN1CCn2cc(CN3CCCCC3)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N5O.C2HF3O2/c1-14-17(15(2)24-20-14)12-22-8-9-23-11-16(19-18(23)13-22)10-21-6-4-3-5-7-21;3-2(4,5)1(6)7/h11H,3-10,12-13H2,1-2H3;(H,6,7)
InChIKeyFGDLFBXQEIJMOT-UHFFFAOYSA-N
XLogP3.12
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid (CID 118744593) is 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid is Cc1noc(C)c1CN1CCn2cc(CN3CCCCC3)nc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid?
The InChIKey is FGDLFBXQEIJMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O.C2HF3O2/c1-14-17(15(2)24-20-14)12-22-8-9-23-11-16(19-18(23)13-22)10-21-6-4-3-5-7-21;3-2(4,5)1(6)7/h11H,3-10,12-13H2,1-2H3;(H,6,7).
What are the key properties of 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid?
3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid has a molecular weight of 443.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).