(5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione

C22H23N3O3 — CID 90727427

IUPAC(5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione
SMILESC[C@H]1C(=O)N(Cc2ccccc2)Cc2c(O)n(CCc3ccccc3)c(=O)n21
InChIInChI=1S/C22H23N3O3/c1-16-20(26)23(14-18-10-6-3-7-11-18)15-19-21(27)24(22(28)25(16)19)13-12-17-8-4-2-5-9-17/h2-11,16,27H,12-15H2,1H3/t16-/m0/s1
InChIKeyBHBHMQSGSFWXTP-INIZCTEOSA-N
MW377.44 g/mol
LogP2.70
Rot. Bonds5

About (5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione

(5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione (PubChem CID 90727427) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione.

Molecular Properties

Compound Name(5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione
PubChem CID90727427
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione
SMILESC[C@H]1C(=O)N(Cc2ccccc2)Cc2c(O)n(CCc3ccccc3)c(=O)n21
InChIInChI=1S/C22H23N3O3/c1-16-20(26)23(14-18-10-6-3-7-11-18)15-19-21(27)24(22(28)25(16)19)13-12-17-8-4-2-5-9-17/h2-11,16,27H,12-15H2,1H3/t16-/m0/s1
InChIKeyBHBHMQSGSFWXTP-INIZCTEOSA-N
XLogP2.70
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-7-benzyl-5-methyl-3-(2-phenylethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163314441
6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one
CID 54391912
(5S)-3-(2-aminoethyl)-7-benzyl-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 164700140
(5S)-3,5-dimethyl-7-(2-phenylethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163307683
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(5S)-7-benzyl-5-methyl-3-(1-methylpyrazol-3-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163312275
2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione
CID 85064927
(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
(5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163307619
(5R)-7-benzyl-3-(2-chlorophenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163308715
(5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163310785
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787

Frequently Asked Questions

What is the IUPAC name of (5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione?
The IUPAC name of (5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione (CID 90727427) is (5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione.
What is the SMILES notation for (5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione?
The canonical SMILES for (5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione is C[C@H]1C(=O)N(Cc2ccccc2)Cc2c(O)n(CCc3ccccc3)c(=O)n21.
What is the InChIKey of (5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione?
The InChIKey is BHBHMQSGSFWXTP-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-20(26)23(14-18-10-6-3-7-11-18)15-19-21(27)24(22(28)25(16)19)13-12-17-8-4-2-5-9-17/h2-11,16,27H,12-15H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione?
(5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione has a molecular weight of 377.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione is sourced from PubChem (CID 90727427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).