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

C24H27BrN4O — CID 129216503

IUPAC[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1
InChIInChI=1S/C24H27BrN4O/c25-20-10-8-18(9-11-20)23-21(29-12-4-3-7-22(29)26-23)17-27-13-15-28(16-14-27)24(30)19-5-1-2-6-19/h3-4,7-12,19H,1-2,5-6,13-17H2
InChIKeyRWCKYFYFNKRFHA-UHFFFAOYSA-N
MW467.41 g/mol
LogP4.60
Rot. Bonds4

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

[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone (PubChem CID 129216503) has the molecular formula C24H27BrN4O and a molecular weight of 467.41 g/mol. Its IUPAC name is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
PubChem CID129216503
Molecular FormulaC24H27BrN4O
Molecular Weight467.41 g/mol
Exact Mass466.14
IUPAC Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1
InChIInChI=1S/C24H27BrN4O/c25-20-10-8-18(9-11-20)23-21(29-12-4-3-7-22(29)26-23)17-27-13-15-28(16-14-27)24(30)19-5-1-2-6-19/h3-4,7-12,19H,1-2,5-6,13-17H2
InChIKeyRWCKYFYFNKRFHA-UHFFFAOYSA-N
XLogP4.60
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone (CID 129216503) is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)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]-cyclopentylmethanone?
The InChIKey is RWCKYFYFNKRFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O/c25-20-10-8-18(9-11-20)23-21(29-12-4-3-7-22(29)26-23)17-27-13-15-28(16-14-27)24(30)19-5-1-2-6-19/h3-4,7-12,19H,1-2,5-6,13-17H2.
What are the key properties of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone?
[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 467.41 g/mol, XLogP of 4.60, 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]-cyclopentylmethanone is sourced from PubChem (CID 129216503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).