8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)

C26H23F9N6O7 — CID 155833707

IUPAC8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(-c2cnc3c(N4CCN(Cc5ccoc5)CC4)nccn23)ccn1
InChIInChI=1S/C20H20N6O.3C2HF3O2/c1-4-21-5-2-17(1)18-13-23-20-19(22-6-7-26(18)20)25-10-8-24(9-11-25)14-16-3-12-27-15-16;3*3-2(4,5)1(6)7/h1-7,12-13,15H,8-11,14H2;3*(H,6,7)
InChIKeyDKIHICFJOFAEEA-UHFFFAOYSA-N
MW702.49 g/mol
LogP4.61
Rot. Bonds4

About 8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)

8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155833707) has the molecular formula C26H23F9N6O7 and a molecular weight of 702.49 g/mol. Its IUPAC name is 8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
PubChem CID155833707
Molecular FormulaC26H23F9N6O7
Molecular Weight702.49 g/mol
Exact Mass702.15
IUPAC Name8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(-c2cnc3c(N4CCN(Cc5ccoc5)CC4)nccn23)ccn1
InChIInChI=1S/C20H20N6O.3C2HF3O2/c1-4-21-5-2-17(1)18-13-23-20-19(22-6-7-26(18)20)25-10-8-24(9-11-25)14-16-3-12-27-15-16;3*3-2(4,5)1(6)7/h1-7,12-13,15H,8-11,14H2;3*(H,6,7)
InChIKeyDKIHICFJOFAEEA-UHFFFAOYSA-N
XLogP4.61
TPSA174.60 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500702.49
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) (CID 155833707) is 8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(-c2cnc3c(N4CCN(Cc5ccoc5)CC4)nccn23)ccn1.
What is the InChIKey of 8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is DKIHICFJOFAEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O.3C2HF3O2/c1-4-21-5-2-17(1)18-13-23-20-19(22-6-7-26(18)20)25-10-8-24(9-11-25)14-16-3-12-27-15-16;3*3-2(4,5)1(6)7/h1-7,12-13,15H,8-11,14H2;3*(H,6,7).
What are the key properties of 8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 702.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155833707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).