5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

C19H20N4O4 — CID 95121856

IUPAC5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCC[C@@H](C(=O)N1CCn2nc(C(=O)O)cc2C1)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H20N4O4/c1-2-16(22-10-12-5-3-4-6-14(12)17(22)24)18(25)21-7-8-23-13(11-21)9-15(20-23)19(26)27/h3-6,9,16H,2,7-8,10-11H2,1H3,(H,26,27)/t16-/m0/s1
InChIKeyRKDQBVCVNXTRQQ-INIZCTEOSA-N
MW368.39 g/mol
LogP1.36
Rot. Bonds4

About 5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 95121856) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID95121856
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCC[C@@H](C(=O)N1CCn2nc(C(=O)O)cc2C1)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H20N4O4/c1-2-16(22-10-12-5-3-4-6-14(12)17(22)24)18(25)21-7-8-23-13(11-21)9-15(20-23)19(26)27/h3-6,9,16H,2,7-8,10-11H2,1H3,(H,26,27)/t16-/m0/s1
InChIKeyRKDQBVCVNXTRQQ-INIZCTEOSA-N
XLogP1.36
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic 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 5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 95121856) is 5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is CC[C@@H](C(=O)N1CCn2nc(C(=O)O)cc2C1)N1Cc2ccccc2C1=O.
What is the InChIKey of 5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is RKDQBVCVNXTRQQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-2-16(22-10-12-5-3-4-6-14(12)17(22)24)18(25)21-7-8-23-13(11-21)9-15(20-23)19(26)27/h3-6,9,16H,2,7-8,10-11H2,1H3,(H,26,27)/t16-/m0/s1.
What are the key properties of 5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 95121856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).