7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C21H26F6N4O5 — CID 155842300

IUPAC7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(CN2CCn3cc(CN4CCCCC4)nc3C2)co1
InChIInChI=1S/C17H24N4O.2C2HF3O2/c1-2-5-19(6-3-1)11-16-12-21-8-7-20(13-17(21)18-16)10-15-4-9-22-14-15;2*3-2(4,5)1(6)7/h4,9,12,14H,1-3,5-8,10-11,13H2;2*(H,6,7)
InChIKeyBKPMYCHZTVREMQ-UHFFFAOYSA-N
MW528.45 g/mol
LogP3.74
Rot. Bonds4

About 7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155842300) has the molecular formula C21H26F6N4O5 and a molecular weight of 528.45 g/mol. Its IUPAC name is 7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155842300
Molecular FormulaC21H26F6N4O5
Molecular Weight528.45 g/mol
Exact Mass528.18
IUPAC Name7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(CN2CCn3cc(CN4CCCCC4)nc3C2)co1
InChIInChI=1S/C17H24N4O.2C2HF3O2/c1-2-5-19(6-3-1)11-16-12-21-8-7-20(13-17(21)18-16)10-15-4-9-22-14-15;2*3-2(4,5)1(6)7/h4,9,12,14H,1-3,5-8,10-11,13H2;2*(H,6,7)
InChIKeyBKPMYCHZTVREMQ-UHFFFAOYSA-N
XLogP3.74
TPSA112.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155842300) is 7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(CN2CCn3cc(CN4CCCCC4)nc3C2)co1.
What is the InChIKey of 7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BKPMYCHZTVREMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2C2HF3O2/c1-2-5-19(6-3-1)11-16-12-21-8-7-20(13-17(21)18-16)10-15-4-9-22-14-15;2*3-2(4,5)1(6)7/h4,9,12,14H,1-3,5-8,10-11,13H2;2*(H,6,7).
What are the key properties of 7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 528.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155842300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).