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

C16H20N4O2 — CID 165421753

IUPAC(3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione
SMILESCc1ccc2nc(CN3C(=O)[C@H](C)N(C)C(=O)[C@@H]3C)cn2c1
InChIInChI=1S/C16H20N4O2/c1-10-5-6-14-17-13(8-19(14)7-10)9-20-12(3)15(21)18(4)11(2)16(20)22/h5-8,11-12H,9H2,1-4H3/t11-,12-/m0/s1
InChIKeyBOLORQDNRXGTKJ-RYUDHWBXSA-N
MW300.36 g/mol
LogP1.22
Rot. Bonds2

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

(3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione (PubChem CID 165421753) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione
PubChem CID165421753
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione
SMILESCc1ccc2nc(CN3C(=O)[C@H](C)N(C)C(=O)[C@@H]3C)cn2c1
InChIInChI=1S/C16H20N4O2/c1-10-5-6-14-17-13(8-19(14)7-10)9-20-12(3)15(21)18(4)11(2)16(20)22/h5-8,11-12H,9H2,1-4H3/t11-,12-/m0/s1
InChIKeyBOLORQDNRXGTKJ-RYUDHWBXSA-N
XLogP1.22
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione
CID 164691531
1-(4-fluorophenyl)-5-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione
CID 51182731
1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde
CID 66214365
4-methyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-2-carboxylic acid
CID 114426519
1-cyclopentyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4,5-trione
CID 4788304
4-methyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-ol
CID 103897964
(3S,6S)-1-[(3-chloro-4-fluorophenyl)methyl]-3,4,6-trimethylpiperazine-2,5-dione
CID 165425030
2-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521725
3-(6-methylimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 4912874
5-bromo-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,7-naphthyridin-1-one
CID 168971066
(5S,6S)-6-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40973285
(3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119933721

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of (3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione (CID 165421753) is (3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for (3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione is Cc1ccc2nc(CN3C(=O)[C@H](C)N(C)C(=O)[C@@H]3C)cn2c1.
What is the InChIKey of (3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is BOLORQDNRXGTKJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-5-6-14-17-13(8-19(14)7-10)9-20-12(3)15(21)18(4)11(2)16(20)22/h5-8,11-12H,9H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of (3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione?
(3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 300.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1,3,6-trimethyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 165421753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).