2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)

C23H32F9N5O7 — CID 118747162

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
SMILESCN1CCN(Cc2cn3c(n2)CN(C2CCOCC2)CC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H29N5O.3C2HF3O2/c1-19-4-6-20(7-5-19)12-15-13-22-9-8-21(14-17(22)18-15)16-2-10-23-11-3-16;3*3-2(4,5)1(6)7/h13,16H,2-12,14H2,1H3;3*(H,6,7)
InChIKeyRKFWXTOUEBNIGW-UHFFFAOYSA-N
MW661.52 g/mol
LogP2.53
Rot. Bonds3

About 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)

2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 118747162) has the molecular formula C23H32F9N5O7 and a molecular weight of 661.52 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
PubChem CID118747162
Molecular FormulaC23H32F9N5O7
Molecular Weight661.52 g/mol
Exact Mass661.22
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
SMILESCN1CCN(Cc2cn3c(n2)CN(C2CCOCC2)CC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H29N5O.3C2HF3O2/c1-19-4-6-20(7-5-19)12-15-13-22-9-8-21(14-17(22)18-15)16-2-10-23-11-3-16;3*3-2(4,5)1(6)7/h13,16H,2-12,14H2,1H3;3*(H,6,7)
InChIKeyRKFWXTOUEBNIGW-UHFFFAOYSA-N
XLogP2.53
TPSA148.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.52
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) (CID 118747162) is 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) is CN1CCN(Cc2cn3c(n2)CN(C2CCOCC2)CC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is RKFWXTOUEBNIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O.3C2HF3O2/c1-19-4-6-20(7-5-19)12-15-13-22-9-8-21(14-17(22)18-15)16-2-10-23-11-3-16;3*3-2(4,5)1(6)7/h13,16H,2-12,14H2,1H3;3*(H,6,7).
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 661.52 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118747162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).