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

C20H18F6N4O5 — CID 155850258

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

3-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155850258) has the molecular formula C20H18F6N4O5 and a molecular weight of 508.38 g/mol. Its IUPAC name is 3-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155850258
• Molecular Formula: C20H18F6N4O5
• Molecular Weight: 508.38 g/mol
• Exact Mass: 508.12
• IUPAC Name: 3-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• SMILES: O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(CN2CCn3c(-c4ccco4)cnc3C2)c1
• InChI: InChI=1S/C16H16N4O.2C2HF3O2/c1-3-13(9-17-5-1)11-19-6-7-20-14(10-18-16(20)12-19)15-4-2-8-21-15;2*3-2(4,5)1(6)7/h1-5,8-10H,6-7,11-12H2;2*(H,6,7)
• InChIKey: FQQQTGCNLPSGTG-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 121.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.38
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 3-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155850258) is 3-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 3-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-(furan-2-yl)-7-(pyridin-3-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.c1cncc(CN2CCn3c(-c4ccco4)cnc3C2)c1.

What is the InChIKey of 3-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is FQQQTGCNLPSGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O.2C2HF3O2/c1-3-13(9-17-5-1)11-19-6-7-20-14(10-18-16(20)12-19)15-4-2-8-21-15;2*3-2(4,5)1(6)7/h1-5,8-10H,6-7,11-12H2;2*(H,6,7).

What are the key properties of 3-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

3-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 508.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155850258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).