3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

C22H23N7O3 — CID 54766428

IUPAC3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCC(C)(O)Cn1c(=O)n(C2CCOCC2)c2nc(-c3cnc4ccc(C#N)cn34)ncc21
InChIInChI=1S/C22H23N7O3/c1-22(2,31)13-28-17-11-25-19(16-10-24-18-4-3-14(9-23)12-27(16)18)26-20(17)29(21(28)30)15-5-7-32-8-6-15/h3-4,10-12,15,31H,5-8,13H2,1-2H3
InChIKeyGVFYFXFHOOSHAM-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.90
Rot. Bonds4

About 3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 54766428) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID54766428
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCC(C)(O)Cn1c(=O)n(C2CCOCC2)c2nc(-c3cnc4ccc(C#N)cn34)ncc21
InChIInChI=1S/C22H23N7O3/c1-22(2,31)13-28-17-11-25-19(16-10-24-18-4-3-14(9-23)12-27(16)18)26-20(17)29(21(28)30)15-5-7-32-8-6-15/h3-4,10-12,15,31H,5-8,13H2,1-2H3
InChIKeyGVFYFXFHOOSHAM-UHFFFAOYSA-N
XLogP1.90
TPSA123.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile 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-[7-(2-Hydroxyethyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766427
7-Methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
CID 155537053
9-(4-Hydroxycyclohexyl)-7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one
CID 155555885
1-(8-oxo-9-(tetrahydro-2H-pyran-4-yl)-8,9-dihydro-7H-purin-2-yl)-1H-benzo[d]imidazole-6-carbonitrile
CID 46880194
4-[3-[1-(2-Methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380289
3-[8-oxo-9-(tetrahydro-2H-pyran-4-yl)-8,9-dihydro-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766274
3-[7-Methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766423
3-[7-(2-Morpholin-4-ylethyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766425
3-[7-[2-(Dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766426
3-[7-[(2S)-2,3-dihydroxypropyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766576
3-[7-(2-Methoxyethyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766578
2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one
CID 54766726

Frequently Asked Questions

What is the IUPAC name of 3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 54766428) is 3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is CC(C)(O)Cn1c(=O)n(C2CCOCC2)c2nc(-c3cnc4ccc(C#N)cn34)ncc21.
What is the InChIKey of 3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is GVFYFXFHOOSHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-22(2,31)13-28-17-11-25-19(16-10-24-18-4-3-14(9-23)12-27(16)18)26-20(17)29(21(28)30)15-5-7-32-8-6-15/h3-4,10-12,15,31H,5-8,13H2,1-2H3.
What are the key properties of 3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 433.47 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2-hydroxy-2-methylpropyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 54766428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).