1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)

C22H28F6N4O6 — CID 118746724

IUPAC1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(Cc1cn2c(n1)CN(C1CCOCC1)CC2)Cc1ccco1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N4O2.2C2HF3O2/c1-20(13-17-3-2-8-24-17)11-15-12-22-7-6-21(14-18(22)19-15)16-4-9-23-10-5-16;2*3-2(4,5)1(6)7/h2-3,8,12,16H,4-7,9-11,13-14H2,1H3;2*(H,6,7)
InChIKeyGWJHSBFSWYMFPB-UHFFFAOYSA-N
MW558.48 g/mol
LogP3.37
Rot. Bonds5

About 1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)

1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746724) has the molecular formula C22H28F6N4O6 and a molecular weight of 558.48 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746724
Molecular FormulaC22H28F6N4O6
Molecular Weight558.48 g/mol
Exact Mass558.19
IUPAC Name1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(Cc1cn2c(n1)CN(C1CCOCC1)CC2)Cc1ccco1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N4O2.2C2HF3O2/c1-20(13-17-3-2-8-24-17)11-15-12-22-7-6-21(14-18(22)19-15)16-4-9-23-10-5-16;2*3-2(4,5)1(6)7/h2-3,8,12,16H,4-7,9-11,13-14H2,1H3;2*(H,6,7)
InChIKeyGWJHSBFSWYMFPB-UHFFFAOYSA-N
XLogP3.37
TPSA121.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid) (CID 118746724) is 1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid) is CN(Cc1cn2c(n1)CN(C1CCOCC1)CC2)Cc1ccco1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is GWJHSBFSWYMFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2C2HF3O2/c1-20(13-17-3-2-8-24-17)11-15-12-22-7-6-21(14-18(22)19-15)16-4-9-23-10-5-16;2*3-2(4,5)1(6)7/h2-3,8,12,16H,4-7,9-11,13-14H2,1H3;2*(H,6,7).
What are the key properties of 1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)?
1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 558.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).