(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione

C22H24N4O2 — CID 164691531

IUPAC(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione
SMILESCc1ccc2nc(CN3C(=O)CN(CCc4ccccc4)C(=O)[C@@H]3C)cn2c1
InChIInChI=1S/C22H24N4O2/c1-16-8-9-20-23-19(13-25(20)12-16)14-26-17(2)22(28)24(15-21(26)27)11-10-18-6-4-3-5-7-18/h3-9,12-13,17H,10-11,14-15H2,1-2H3/t17-/m0/s1
InChIKeyPCEONCXTHYNNKE-KRWDZBQOSA-N
MW376.46 g/mol
LogP2.44
Rot. Bonds5

About (3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione

(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione (PubChem CID 164691531) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione
PubChem CID164691531
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione
SMILESCc1ccc2nc(CN3C(=O)CN(CCc4ccccc4)C(=O)[C@@H]3C)cn2c1
InChIInChI=1S/C22H24N4O2/c1-16-8-9-20-23-19(13-25(20)12-16)14-26-17(2)22(28)24(15-21(26)27)11-10-18-6-4-3-5-7-18/h3-9,12-13,17H,10-11,14-15H2,1-2H3/t17-/m0/s1
InChIKeyPCEONCXTHYNNKE-KRWDZBQOSA-N
XLogP2.44
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione
CID 165421753
(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
(3S)-4-[(2-fluoro-3-methylphenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165423143
(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165418043
(3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione
CID 165428167
(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165425719
(3S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione;formic acid
CID 166598811
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787
(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 164689037
(3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione
CID 165428608
(3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione
CID 165420341
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione?
The IUPAC name of (3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione (CID 164691531) is (3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione.
What is the SMILES notation for (3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione?
The canonical SMILES for (3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione is Cc1ccc2nc(CN3C(=O)CN(CCc4ccccc4)C(=O)[C@@H]3C)cn2c1.
What is the InChIKey of (3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione?
The InChIKey is PCEONCXTHYNNKE-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-8-9-20-23-19(13-25(20)12-16)14-26-17(2)22(28)24(15-21(26)27)11-10-18-6-4-3-5-7-18/h3-9,12-13,17H,10-11,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione?
(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione has a molecular weight of 376.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione is sourced from PubChem (CID 164691531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).