3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H21FN4O2 — CID 87051668

IUPAC3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1nc2ccccn2c1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c22-16-9-7-15(8-10-16)20-19(24-17-5-1-2-14-26(17)20)21(28)23-11-4-13-25-12-3-6-18(25)27/h1-2,5,7-10,14H,3-4,6,11-13H2,(H,23,28)
InChIKeyMBYOCZCBAFGILW-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.88
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide

3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 87051668) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID87051668
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1nc2ccccn2c1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c22-16-9-7-15(8-10-16)20-19(24-17-5-1-2-14-26(17)20)21(28)23-11-4-13-25-12-3-6-18(25)27/h1-2,5,7-10,14H,3-4,6,11-13H2,(H,23,28)
InChIKeyMBYOCZCBAFGILW-UHFFFAOYSA-N
XLogP2.88
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 87051668) is 3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCCCN1CCCC1=O)c1nc2ccccn2c1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is MBYOCZCBAFGILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-16-9-7-15(8-10-16)20-19(24-17-5-1-2-14-26(17)20)21(28)23-11-4-13-25-12-3-6-18(25)27/h1-2,5,7-10,14H,3-4,6,11-13H2,(H,23,28).
What are the key properties of 3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide?
3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 87051668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).