1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C21H21BrN4O2 — CID 90570469

IUPAC1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(Cc1cnc2ccccn12)C(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C21H21BrN4O2/c1-2-24(14-18-12-23-19-8-3-4-9-25(18)19)21(28)15-10-20(27)26(13-15)17-7-5-6-16(22)11-17/h3-9,11-12,15H,2,10,13-14H2,1H3
InChIKeyGYKUNYRZQUAHQZ-UHFFFAOYSA-N
MW441.33 g/mol
LogP3.50
Rot. Bonds5

About 1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide

1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90570469) has the molecular formula C21H21BrN4O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90570469
Molecular FormulaC21H21BrN4O2
Molecular Weight441.33 g/mol
Exact Mass440.08
IUPAC Name1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(Cc1cnc2ccccn12)C(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C21H21BrN4O2/c1-2-24(14-18-12-23-19-8-3-4-9-25(18)19)21(28)15-10-20(27)26(13-15)17-7-5-6-16(22)11-17/h3-9,11-12,15H,2,10,13-14H2,1H3
InChIKeyGYKUNYRZQUAHQZ-UHFFFAOYSA-N
XLogP3.50
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
1-(3-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 42952777
1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 90570252
1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55664552
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-9H-xanthene-9-carboxamide
CID 71802028
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113189037
1-(3-bromophenyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55675481
methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189282
1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42953091
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 119194539
N,2-diethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)butanamide
CID 90570483

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 90570469) is 1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CCN(Cc1cnc2ccccn12)C(=O)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GYKUNYRZQUAHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O2/c1-2-24(14-18-12-23-19-8-3-4-9-25(18)19)21(28)15-10-20(27)26(13-15)17-7-5-6-16(22)11-17/h3-9,11-12,15H,2,10,13-14H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 441.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90570469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).