7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione

C23H22N6O2 — CID 134220520

IUPAC7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccccc1
InChIInChI=1S/C23H22N6O2/c1-2-11-28-21-20(22(30)26-23(28)31)29(14-16-8-4-3-5-9-16)19(25-21)13-17-15-27-12-7-6-10-18(27)24-17/h3-10,12,15H,2,11,13-14H2,1H3,(H,26,30,31)
InChIKeyGOHNCSPZIXYWEG-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.58
Rot. Bonds6

About 7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione

7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione (PubChem CID 134220520) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione
PubChem CID134220520
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccccc1
InChIInChI=1S/C23H22N6O2/c1-2-11-28-21-20(22(30)26-23(28)31)29(14-16-8-4-3-5-9-16)19(25-21)13-17-15-27-12-7-6-10-18(27)24-17/h3-10,12,15H,2,11,13-14H2,1H3,(H,26,30,31)
InChIKeyGOHNCSPZIXYWEG-UHFFFAOYSA-N
XLogP2.58
TPSA89.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione?
The IUPAC name of 7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione (CID 134220520) is 7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione.
What is the SMILES notation for 7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione?
The canonical SMILES for 7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccccc1.
What is the InChIKey of 7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione?
The InChIKey is GOHNCSPZIXYWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-2-11-28-21-20(22(30)26-23(28)31)29(14-16-8-4-3-5-9-16)19(25-21)13-17-15-27-12-7-6-10-18(27)24-17/h3-10,12,15H,2,11,13-14H2,1H3,(H,26,30,31).
What are the key properties of 7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione?
7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione has a molecular weight of 414.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione is sourced from PubChem (CID 134220520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).