(3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione

C22H24N4O3 — CID 165420341

IUPAC(3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(Cc2cn3ccccc3n2)[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C22H24N4O3/c1-29-12-11-25-16-21(27)26(15-18-14-24-10-6-5-9-20(24)23-18)19(22(25)28)13-17-7-3-2-4-8-17/h2-10,14,19H,11-13,15-16H2,1H3/t19-/m1/s1
InChIKeyUDPOHTVULQMCQT-LJQANCHMSA-N
MW392.46 g/mol
LogP1.76
Rot. Bonds7

About (3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione

(3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione (PubChem CID 165420341) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione
PubChem CID165420341
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(Cc2cn3ccccc3n2)[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C22H24N4O3/c1-29-12-11-25-16-21(27)26(15-18-14-24-10-6-5-9-20(24)23-18)19(22(25)28)13-17-7-3-2-4-8-17/h2-10,14,19H,11-13,15-16H2,1H3/t19-/m1/s1
InChIKeyUDPOHTVULQMCQT-LJQANCHMSA-N
XLogP1.76
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione with MolForge

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Related Compounds

(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione
CID 165426751
(3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione
CID 165419607
(3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 164699341
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 165424506
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 164693913
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 165417368
(3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione
CID 165426950
(3R)-3-benzyl-1-(2-methoxyethyl)-4-(2-phenylmethoxyethyl)piperazine-2,5-dione;formic acid
CID 166598382
(3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione
CID 165428167
(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione
CID 164691531
3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911
(5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163308249

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione?
The IUPAC name of (3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione (CID 165420341) is (3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for (3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione?
The canonical SMILES for (3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione is COCCN1CC(=O)N(Cc2cn3ccccc3n2)[C@H](Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione?
The InChIKey is UDPOHTVULQMCQT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-29-12-11-25-16-21(27)26(15-18-14-24-10-6-5-9-20(24)23-18)19(22(25)28)13-17-7-3-2-4-8-17/h2-10,14,19H,11-13,15-16H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione?
(3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione has a molecular weight of 392.46 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 165420341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).