3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione

C24H24N6O3 — CID 134211651

IUPAC3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(CCO)cc1
InChIInChI=1S/C24H24N6O3/c1-2-29-22-21(23(32)27-24(29)33)30(14-17-8-6-16(7-9-17)10-12-31)20(26-22)13-18-15-28-11-4-3-5-19(28)25-18/h3-9,11,15,31H,2,10,12-14H2,1H3,(H,27,32,33)
InChIKeyIUIMNFBUYRMNPV-UHFFFAOYSA-N
MW444.50 g/mol
LogP1.73
Rot. Bonds7

About 3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione

3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione (PubChem CID 134211651) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
PubChem CID134211651
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(CCO)cc1
InChIInChI=1S/C24H24N6O3/c1-2-29-22-21(23(32)27-24(29)33)30(14-17-8-6-16(7-9-17)10-12-31)20(26-22)13-18-15-28-11-4-3-5-19(28)25-18/h3-9,11,15,31H,2,10,12-14H2,1H3,(H,27,32,33)
InChIKeyIUIMNFBUYRMNPV-UHFFFAOYSA-N
XLogP1.73
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione?
The IUPAC name of 3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione (CID 134211651) is 3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione.
What is the SMILES notation for 3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione?
The canonical SMILES for 3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione is CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(CCO)cc1.
What is the InChIKey of 3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione?
The InChIKey is IUIMNFBUYRMNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-2-29-22-21(23(32)27-24(29)33)30(14-17-8-6-16(7-9-17)10-12-31)20(26-22)13-18-15-28-11-4-3-5-19(28)25-18/h3-9,11,15,31H,2,10,12-14H2,1H3,(H,27,32,33).
What are the key properties of 3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione?
3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione has a molecular weight of 444.50 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione is sourced from PubChem (CID 134211651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).