1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one

C17H13BrFN3O — CID 171799346

IUPAC1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(F)cc2)N1c1ccc2ncc(Br)n2c1
InChIInChI=1S/C17H13BrFN3O/c18-15-9-20-16-7-5-13(10-21(15)16)22-14(6-8-17(22)23)11-1-3-12(19)4-2-11/h1-5,7,9-10,14H,6,8H2
InChIKeyXTNZNHYDFUVYFE-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.10
Rot. Bonds2

About 1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one

1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 171799346) has the molecular formula C17H13BrFN3O and a molecular weight of 374.21 g/mol. Its IUPAC name is 1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID171799346
Molecular FormulaC17H13BrFN3O
Molecular Weight374.21 g/mol
Exact Mass373.02
IUPAC Name1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(F)cc2)N1c1ccc2ncc(Br)n2c1
InChIInChI=1S/C17H13BrFN3O/c18-15-9-20-16-7-5-13(10-21(15)16)22-14(6-8-17(22)23)11-1-3-12(19)4-2-11/h1-5,7,9-10,14H,6,8H2
InChIKeyXTNZNHYDFUVYFE-UHFFFAOYSA-N
XLogP4.10
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one (CID 171799346) is 1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one is O=C1CCC(c2ccc(F)cc2)N1c1ccc2ncc(Br)n2c1.
What is the InChIKey of 1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is XTNZNHYDFUVYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O/c18-15-9-20-16-7-5-13(10-21(15)16)22-14(6-8-17(22)23)11-1-3-12(19)4-2-11/h1-5,7,9-10,14H,6,8H2.
What are the key properties of 1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one?
1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 374.21 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 171799346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).