7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde

C24H27N5O2 — CID 175882035

IUPAC7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde
SMILESCC(C)c1ccc(-c2nc3ncccn3c2CN2CC3CC(=O)CC(C2)N3C=O)cc1
InChIInChI=1S/C24H27N5O2/c1-16(2)17-4-6-18(7-5-17)23-22(28-9-3-8-25-24(28)26-23)14-27-12-19-10-21(31)11-20(13-27)29(19)15-30/h3-9,15-16,19-20H,10-14H2,1-2H3
InChIKeyRONVMYFOWNPHDU-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.89
Rot. Bonds5

About 7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde

7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde (PubChem CID 175882035) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde.

Molecular Properties

Compound Name7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde
PubChem CID175882035
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde
SMILESCC(C)c1ccc(-c2nc3ncccn3c2CN2CC3CC(=O)CC(C2)N3C=O)cc1
InChIInChI=1S/C24H27N5O2/c1-16(2)17-4-6-18(7-5-17)23-22(28-9-3-8-25-24(28)26-23)14-27-12-19-10-21(31)11-20(13-27)29(19)15-30/h3-9,15-16,19-20H,10-14H2,1-2H3
InChIKeyRONVMYFOWNPHDU-UHFFFAOYSA-N
XLogP2.89
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde with MolForge

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Related Compounds

9-(3-chloro-6-methoxypyridine-2-carbonyl)-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 168863944
3-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidine;dihydrochloride
CID 142494523
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-9-(6-methoxypyridine-2-carbonyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 168863945
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146463144
(3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone
CID 142494576
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanone
CID 175895866
tert-butyl 3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-6-oxa-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 166948564
4-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde
CID 155015642
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
[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(6-methoxy-2-pyridinyl)methanone
CID 146462827
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-N,N-di(propan-2-yl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 168863968
3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
CID 134203713

Frequently Asked Questions

What is the IUPAC name of 7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde?
The IUPAC name of 7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde (CID 175882035) is 7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde.
What is the SMILES notation for 7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde?
The canonical SMILES for 7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde is CC(C)c1ccc(-c2nc3ncccn3c2CN2CC3CC(=O)CC(C2)N3C=O)cc1.
What is the InChIKey of 7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde?
The InChIKey is RONVMYFOWNPHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16(2)17-4-6-18(7-5-17)23-22(28-9-3-8-25-24(28)26-23)14-27-12-19-10-21(31)11-20(13-27)29(19)15-30/h3-9,15-16,19-20H,10-14H2,1-2H3.
What are the key properties of 7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde?
7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde has a molecular weight of 417.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde is sourced from PubChem (CID 175882035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).