1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)

C27H27F7N4O4 — CID 171696659

IUPAC1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
SMILESFc1ccc(CN2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H25FN4.2C2HF3O2/c24-20-8-6-18(7-9-20)17-27-13-10-23(11-14-27)22-25-16-21(28(22)15-12-26-23)19-4-2-1-3-5-19;2*3-2(4,5)1(6)7/h1-9,16,26H,10-15,17H2;2*(H,6,7)
InChIKeyPTVXUUWFPWBOFQ-UHFFFAOYSA-N
MW604.52 g/mol
LogP5.05
Rot. Bonds3

About 1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)

1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) (PubChem CID 171696659) has the molecular formula C27H27F7N4O4 and a molecular weight of 604.52 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
PubChem CID171696659
Molecular FormulaC27H27F7N4O4
Molecular Weight604.52 g/mol
Exact Mass604.19
IUPAC Name1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
SMILESFc1ccc(CN2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H25FN4.2C2HF3O2/c24-20-8-6-18(7-9-20)17-27-13-10-23(11-14-27)22-25-16-21(28(22)15-12-26-23)19-4-2-1-3-5-19;2*3-2(4,5)1(6)7/h1-9,16,26H,10-15,17H2;2*(H,6,7)
InChIKeyPTVXUUWFPWBOFQ-UHFFFAOYSA-N
XLogP5.05
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.52
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

1'-benzyl-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97407019
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
3-(3-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155838146
1'-cyclopropylsulfonyl-3-(4-fluorophenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];2,2,2-trifluoroacetic acid
CID 155856386
(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155849750
5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)
CID 155856589
3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole
CID 97410441
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
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
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
3-(3-fluorophenyl)-7-methyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 171695017
2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole
CID 97440582

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) (CID 171696659) is 1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) is Fc1ccc(CN2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)?
The InChIKey is PTVXUUWFPWBOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4.2C2HF3O2/c24-20-8-6-18(7-9-20)17-27-13-10-23(11-14-27)22-25-16-21(28(22)15-12-26-23)19-4-2-1-3-5-19;2*3-2(4,5)1(6)7/h1-9,16,26H,10-15,17H2;2*(H,6,7).
What are the key properties of 1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)?
1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) has a molecular weight of 604.52 g/mol, XLogP of 5.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171696659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).