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

C23H28F7N5O4 — CID 171696035

IUPAC7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCN(Cc2cn3c(n2)CN(Cc2cccc(F)c2)CC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26FN5.2C2HF3O2/c1-22-5-7-23(8-6-22)13-18-14-25-10-9-24(15-19(25)21-18)12-16-3-2-4-17(20)11-16;2*3-2(4,5)1(6)7/h2-4,11,14H,5-10,12-13,15H2,1H3;2*(H,6,7)
InChIKeyYGTHCTMLWICSBJ-UHFFFAOYSA-N
MW571.49 g/mol
LogP3.05
Rot. Bonds4

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

7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171696035) has the molecular formula C23H28F7N5O4 and a molecular weight of 571.49 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID171696035
Molecular FormulaC23H28F7N5O4
Molecular Weight571.49 g/mol
Exact Mass571.20
IUPAC Name7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCN(Cc2cn3c(n2)CN(Cc2cccc(F)c2)CC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26FN5.2C2HF3O2/c1-22-5-7-23(8-6-22)13-18-14-25-10-9-24(15-19(25)21-18)12-16-3-2-4-17(20)11-16;2*3-2(4,5)1(6)7/h2-4,11,14H,5-10,12-13,15H2,1H3;2*(H,6,7)
InChIKeyYGTHCTMLWICSBJ-UHFFFAOYSA-N
XLogP3.05
TPSA102.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467451
7-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155830854
2-cyclopropyl-N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155868565
1'-[(3-fluorophenyl)methyl]-3,7-dimethylspiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 155844570
1-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118743522
2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 97382075
1-(furan-2-yl)-N-methyl-N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 171688741
7-[(4-fluorophenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155859361
2-[(3-fluorophenyl)methyl]-8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155826898
2-(3-fluorophenyl)-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 97467485
7-[(5-methylthiophen-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155848406
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 171696035) is 7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is CN1CCN(Cc2cn3c(n2)CN(Cc2cccc(F)c2)CC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is YGTHCTMLWICSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5.2C2HF3O2/c1-22-5-7-23(8-6-22)13-18-14-25-10-9-24(15-19(25)21-18)12-16-3-2-4-17(20)11-16;2*3-2(4,5)1(6)7/h2-4,11,14H,5-10,12-13,15H2,1H3;2*(H,6,7).
What are the key properties of 7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 571.49 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171696035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).