(5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione

C25H29N3O2 — CID 71762950

IUPAC(5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione
SMILESO=C1NC[C@@H]2N(CCc3ccccc3)C(=O)C3(CCCC3)N2[C@H]1Cc1ccccc1
InChIInChI=1S/C25H29N3O2/c29-23-21(17-20-11-5-2-6-12-20)28-22(18-26-23)27(16-13-19-9-3-1-4-10-19)24(30)25(28)14-7-8-15-25/h1-6,9-12,21-22H,7-8,13-18H2,(H,26,29)/t21-,22+/m0/s1
InChIKeySNWJAYDZQJTXMK-FCHUYYIVSA-N
MW403.53 g/mol
LogP2.75
Rot. Bonds5

About (5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione

(5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione (PubChem CID 71762950) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is (5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione.

Molecular Properties

Compound Name(5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione
PubChem CID71762950
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name(5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione
SMILESO=C1NC[C@@H]2N(CCc3ccccc3)C(=O)C3(CCCC3)N2[C@H]1Cc1ccccc1
InChIInChI=1S/C25H29N3O2/c29-23-21(17-20-11-5-2-6-12-20)28-22(18-26-23)27(16-13-19-9-3-1-4-10-19)24(30)25(28)14-7-8-15-25/h1-6,9-12,21-22H,7-8,13-18H2,(H,26,29)/t21-,22+/m0/s1
InChIKeySNWJAYDZQJTXMK-FCHUYYIVSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione with MolForge

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Related Compounds

4-phenyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 155872026
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
7-benzyl-1-[2-(4-fluorophenyl)ethyl]-1,3,5-triazepane-2,4-dione
CID 101155743
8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one
CID 91595061
7-butyl-1-(2-phenylethyl)-1,3,5-triazepane-2,4-dione
CID 101155739
(5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95711606
N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 56911904
6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64881451
3-benzyl-4-ethyl-1,4-diazepan-2-one
CID 146122720
4-benzyl-3-[2-(4-fluorophenyl)ethyl]-2,4,5,6,7,8-hexahydrophthalazin-1-one
CID 141215128
3-methyl-7-(2-phenylethyl)-8-(3-phenylpropylsulfanyl)-4,5-dihydropurine-2,6-dione
CID 78303605
8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131651628

Frequently Asked Questions

What is the IUPAC name of (5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione?
The IUPAC name of (5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione (CID 71762950) is (5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione.
What is the SMILES notation for (5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione?
The canonical SMILES for (5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione is O=C1NC[C@@H]2N(CCc3ccccc3)C(=O)C3(CCCC3)N2[C@H]1Cc1ccccc1.
What is the InChIKey of (5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione?
The InChIKey is SNWJAYDZQJTXMK-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-23-21(17-20-11-5-2-6-12-20)28-22(18-26-23)27(16-13-19-9-3-1-4-10-19)24(30)25(28)14-7-8-15-25/h1-6,9-12,21-22H,7-8,13-18H2,(H,26,29)/t21-,22+/m0/s1.
What are the key properties of (5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione?
(5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione has a molecular weight of 403.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8aS)-5-benzyl-1-(2-phenylethyl)spiro[5,7,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,1'-cyclopentane]-2,6-dione is sourced from PubChem (CID 71762950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).