4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid

C21H19F3N4O5 — CID 154885622

IUPAC4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(N2CCN(C(=O)c3cn4ccccc4n3)CC2=O)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H18N4O3.C2HF3O2/c1-26-15-6-4-5-14(11-15)23-10-9-22(13-18(23)24)19(25)16-12-21-8-3-2-7-17(21)20-16;3-2(4,5)1(6)7/h2-8,11-12H,9-10,13H2,1H3;(H,6,7)
InChIKeyZYNQADUGFQJXIL-UHFFFAOYSA-N
MW464.40 g/mol
LogP2.47
Rot. Bonds3

About 4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid

4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 154885622) has the molecular formula C21H19F3N4O5 and a molecular weight of 464.40 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID154885622
Molecular FormulaC21H19F3N4O5
Molecular Weight464.40 g/mol
Exact Mass464.13
IUPAC Name4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(N2CCN(C(=O)c3cn4ccccc4n3)CC2=O)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H18N4O3.C2HF3O2/c1-26-15-6-4-5-14(11-15)23-10-9-22(13-18(23)24)19(25)16-12-21-8-3-2-7-17(21)20-16;3-2(4,5)1(6)7/h2-8,11-12H,9-10,13H2,1H3;(H,6,7)
InChIKeyZYNQADUGFQJXIL-UHFFFAOYSA-N
XLogP2.47
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 159608487
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4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70717844
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one
CID 70722598
4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
[4-(2,5-dimethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 87051259
4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96576006
1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one
CID 26400042
1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
CID 118765217
[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 129350051

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid (CID 154885622) is 4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid is COc1cccc(N2CCN(C(=O)c3cn4ccccc4n3)CC2=O)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is ZYNQADUGFQJXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3.C2HF3O2/c1-26-15-6-4-5-14(11-15)23-10-9-22(13-18(23)24)19(25)16-12-21-8-3-2-7-17(21)20-16;3-2(4,5)1(6)7/h2-8,11-12H,9-10,13H2,1H3;(H,6,7).
What are the key properties of 4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 464.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154885622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).