ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate

C23H25FN4O3 — CID 42782100

IUPACethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC(c2cccc(F)c2)c2cnc3ccccn23)CC1
InChIInChI=1S/C23H25FN4O3/c1-2-31-23(30)27-12-10-26(11-13-27)22(29)15-19(17-6-5-7-18(24)14-17)20-16-25-21-8-3-4-9-28(20)21/h3-9,14,16,19H,2,10-13,15H2,1H3
InChIKeyUUXSWQXRAQJGDB-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.30
Rot. Bonds5

About ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate

ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate (PubChem CID 42782100) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
PubChem CID42782100
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Nameethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC(c2cccc(F)c2)c2cnc3ccccn23)CC1
InChIInChI=1S/C23H25FN4O3/c1-2-31-23(30)27-12-10-26(11-13-27)22(29)15-19(17-6-5-7-18(24)14-17)20-16-25-21-8-3-4-9-28(20)21/h3-9,14,16,19H,2,10-13,15H2,1H3
InChIKeyUUXSWQXRAQJGDB-UHFFFAOYSA-N
XLogP3.30
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
CID 42782057
1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one
CID 5058665
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 5043701
ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate
CID 42782067
3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42784065
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
CID 4068487
ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
CID 16614782
3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one
CID 4171526
3-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42784164
3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3311606
ethyl 4-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 97189636
1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
CID 4695381

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate (CID 42782100) is ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CC(c2cccc(F)c2)c2cnc3ccccn23)CC1.
What is the InChIKey of ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate?
The InChIKey is UUXSWQXRAQJGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-2-31-23(30)27-12-10-26(11-13-27)22(29)15-19(17-6-5-7-18(24)14-17)20-16-25-21-8-3-4-9-28(20)21/h3-9,14,16,19H,2,10-13,15H2,1H3.
What are the key properties of ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate has a molecular weight of 424.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 42782100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).