[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone

C25H22BrFN4O — CID 129216564

IUPAC[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1
InChIInChI=1S/C25H22BrFN4O/c26-19-10-8-18(9-11-19)24-22(31-12-4-3-7-23(31)28-24)17-29-13-15-30(16-14-29)25(32)20-5-1-2-6-21(20)27/h1-12H,13-17H2
InChIKeyNABAWQRCDXXOMF-UHFFFAOYSA-N
MW493.38 g/mol
LogP4.86
Rot. Bonds4

About [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone

[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 129216564) has the molecular formula C25H22BrFN4O and a molecular weight of 493.38 g/mol. Its IUPAC name is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID129216564
Molecular FormulaC25H22BrFN4O
Molecular Weight493.38 g/mol
Exact Mass492.10
IUPAC Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1
InChIInChI=1S/C25H22BrFN4O/c26-19-10-8-18(9-11-19)24-22(31-12-4-3-7-23(31)28-24)17-29-13-15-30(16-14-29)25(32)20-5-1-2-6-21(20)27/h1-12H,13-17H2
InChIKeyNABAWQRCDXXOMF-UHFFFAOYSA-N
XLogP4.86
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
Imidazopyridine 18a
CID 5329351
Imidazopyridine 18d
CID 5329354
N-(4-{5-[3-(Acetylamino)phenyl]-2-(2-Aminopyridin-3-Yl)-3h-Imidazo[4,5-B]pyridin-3-Yl}benzyl)-3-Fluorobenzamide
CID 56965952
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748359
2-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 4452339
4-fluoro-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 5079626
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 5221932
N-[(6-Bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 342996
N-(Imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 589891
2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080296
2-(6-Bromo-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10047394

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone (CID 129216564) is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1.
What is the InChIKey of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is NABAWQRCDXXOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrFN4O/c26-19-10-8-18(9-11-19)24-22(31-12-4-3-7-23(31)28-24)17-29-13-15-30(16-14-29)25(32)20-5-1-2-6-21(20)27/h1-12H,13-17H2.
What are the key properties of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 493.38 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 129216564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).