4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid

C16H25N3O4 — CID 75537016

IUPAC4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1
InChIInChI=1S/C16H25N3O4/c20-14(6-7-15(21)22)17-8-9-18-13(10-17)11-19(16(18)23)12-4-2-1-3-5-12/h12-13H,1-11H2,(H,21,22)/t13-/m1/s1
InChIKeyIBEMDQCCHLNPGB-CYBMUJFWSA-N
MW323.39 g/mol
LogP1.13
Rot. Bonds4

About 4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid

4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid (PubChem CID 75537016) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid
PubChem CID75537016
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1
InChIInChI=1S/C16H25N3O4/c20-14(6-7-15(21)22)17-8-9-18-13(10-17)11-19(16(18)23)12-4-2-1-3-5-12/h12-13H,1-11H2,(H,21,22)/t13-/m1/s1
InChIKeyIBEMDQCCHLNPGB-CYBMUJFWSA-N
XLogP1.13
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537010
(8aR)-N-benzyl-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75537021
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-oxopentanoic acid
CID 54875608
5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
CID 79092252
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
2-(4-aminobutanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863221
(8aR)-2-cyclohexyl-7-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537121
4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 93204224
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-oxohexanoic acid
CID 63150889
6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63168060
5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 63168015

Frequently Asked Questions

What is the IUPAC name of 4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid (CID 75537016) is 4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1.
What is the InChIKey of 4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid?
The InChIKey is IBEMDQCCHLNPGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O4/c20-14(6-7-15(21)22)17-8-9-18-13(10-17)11-19(16(18)23)12-4-2-1-3-5-12/h12-13H,1-11H2,(H,21,22)/t13-/m1/s1.
What are the key properties of 4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid?
4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid has a molecular weight of 323.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid is sourced from PubChem (CID 75537016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).