2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid

C23H29N3O5 — CID 7675156

IUPAC2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@@H]2CN(C(=O)CC3(CC(=O)O)CCCC3)CCN2C1=O
InChIInChI=1S/C23H29N3O5/c1-16(17-7-3-2-4-8-17)26-21(30)18-15-24(11-12-25(18)22(26)31)19(27)13-23(14-20(28)29)9-5-6-10-23/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H,28,29)/t16-,18-/m0/s1
InChIKeyZRPCLLLOPRIYMA-WMZOPIPTSA-N
MW427.50 g/mol
LogP2.65
Rot. Bonds6

About 2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 7675156) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID7675156
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@@H]2CN(C(=O)CC3(CC(=O)O)CCCC3)CCN2C1=O
InChIInChI=1S/C23H29N3O5/c1-16(17-7-3-2-4-8-17)26-21(30)18-15-24(11-12-25(18)22(26)31)19(27)13-23(14-20(28)29)9-5-6-10-23/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H,28,29)/t16-,18-/m0/s1
InChIKeyZRPCLLLOPRIYMA-WMZOPIPTSA-N
XLogP2.65
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid (CID 7675156) is 2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid is C[C@@H](c1ccccc1)N1C(=O)[C@@H]2CN(C(=O)CC3(CC(=O)O)CCCC3)CCN2C1=O.
What is the InChIKey of 2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is ZRPCLLLOPRIYMA-WMZOPIPTSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-16(17-7-3-2-4-8-17)26-21(30)18-15-24(11-12-25(18)22(26)31)19(27)13-23(14-20(28)29)9-5-6-10-23/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H,28,29)/t16-,18-/m0/s1.
What are the key properties of 2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 427.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(8aS)-1,3-dioxo-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 7675156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).