7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)

C29H31F9N4O7 — CID 155842020

IUPAC7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
SMILESCCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccoc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H28N4O.3C2HF3O2/c1-2-26-13-14-27-21(20-6-4-3-5-7-20)16-24-22(27)23(26)9-11-25(12-10-23)17-19-8-15-28-18-19;3*3-2(4,5)1(6)7/h3-8,15-16,18H,2,9-14,17H2,1H3;3*(H,6,7)
InChIKeyGUBHAZYOSDPGFP-UHFFFAOYSA-N
MW718.57 g/mol
LogP5.87
Rot. Bonds4

About 7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)

7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (PubChem CID 155842020) has the molecular formula C29H31F9N4O7 and a molecular weight of 718.57 g/mol. Its IUPAC name is 7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
PubChem CID155842020
Molecular FormulaC29H31F9N4O7
Molecular Weight718.57 g/mol
Exact Mass718.20
IUPAC Name7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
SMILESCCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccoc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H28N4O.3C2HF3O2/c1-2-26-13-14-27-21(20-6-4-3-5-7-20)16-24-22(27)23(26)9-11-25(12-10-23)17-19-8-15-28-18-19;3*3-2(4,5)1(6)7/h3-8,15-16,18H,2,9-14,17H2,1H3;3*(H,6,7)
InChIKeyGUBHAZYOSDPGFP-UHFFFAOYSA-N
XLogP5.87
TPSA149.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.57
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

7-ethyl-1'-[(1-methylpyrazol-4-yl)methyl]-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155845885
2-[(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155825736
1'-(furan-3-ylmethyl)-3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 171695678
1'-(furan-3-ylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155824726
1-(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one;2,2,2-trifluoroacetic acid
CID 155857877
7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid)
CID 155841425
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)
CID 155837576
7-ethyl-3-phenyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361062
7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361055
7-ethyl-1'-(furan-2-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361052
1'-[(4-fluorophenyl)methyl]-7-methylsulfonyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 155825513
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-3-ylmethanone;tris(2,2,2-trifluoroacetic acid)
CID 155833109

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (CID 155842020) is 7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccoc1)CC2.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 7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
The InChIKey is GUBHAZYOSDPGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.3C2HF3O2/c1-2-26-13-14-27-21(20-6-4-3-5-7-20)16-24-22(27)23(26)9-11-25(12-10-23)17-19-8-15-28-18-19;3*3-2(4,5)1(6)7/h3-8,15-16,18H,2,9-14,17H2,1H3;3*(H,6,7).
What are the key properties of 7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) has a molecular weight of 718.57 g/mol, XLogP of 5.87, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155842020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).