[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone

C25H28BrN5O — CID 137363748

IUPAC[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CC2CCC1CN2Cc1c(-c2ccc(Br)cc2)nc2ncccn12
InChIInChI=1S/C25H28BrN5O/c26-19-8-6-17(7-9-19)23-22(30-13-3-12-27-25(30)28-23)16-29-14-21-11-10-20(29)15-31(21)24(32)18-4-1-2-5-18/h3,6-9,12-13,18,20-21H,1-2,4-5,10-11,14-16H2
InChIKeyAEUNEFLCVYGMNY-UHFFFAOYSA-N
MW494.44 g/mol
LogP4.52
Rot. Bonds4

About [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone

[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone (PubChem CID 137363748) has the molecular formula C25H28BrN5O and a molecular weight of 494.44 g/mol. Its IUPAC name is [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone
PubChem CID137363748
Molecular FormulaC25H28BrN5O
Molecular Weight494.44 g/mol
Exact Mass493.15
IUPAC Name[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CC2CCC1CN2Cc1c(-c2ccc(Br)cc2)nc2ncccn12
InChIInChI=1S/C25H28BrN5O/c26-19-8-6-17(7-9-19)23-22(30-13-3-12-27-25(30)28-23)16-29-14-21-11-10-20(29)15-31(21)24(32)18-4-1-2-5-18/h3,6-9,12-13,18,20-21H,1-2,4-5,10-11,14-16H2
InChIKeyAEUNEFLCVYGMNY-UHFFFAOYSA-N
XLogP4.52
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-9-(cyclopentanecarbonyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 168863988
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146463144
2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine
CID 137362129
3-[[5-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine
CID 166948577
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(2,6-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 155270962
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 147844744
(3R)-1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidine-3-carboxylic acid
CID 40638692
5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid
CID 148555864
2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183039
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-[(2,6-difluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 155270938
1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid
CID 16740500
tert-butyl 5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 134203440

Frequently Asked Questions

What is the IUPAC name of [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone?
The IUPAC name of [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone (CID 137363748) is [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone.
What is the SMILES notation for [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone?
The canonical SMILES for [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CC2CCC1CN2Cc1c(-c2ccc(Br)cc2)nc2ncccn12.
What is the InChIKey of [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone?
The InChIKey is AEUNEFLCVYGMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrN5O/c26-19-8-6-17(7-9-19)23-22(30-13-3-12-27-25(30)28-23)16-29-14-21-11-10-20(29)15-31(21)24(32)18-4-1-2-5-18/h3,6-9,12-13,18,20-21H,1-2,4-5,10-11,14-16H2.
What are the key properties of [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone?
[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone has a molecular weight of 494.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone is sourced from PubChem (CID 137363748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).