3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

C19H21N5O2 — CID 70777050

IUPAC3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCc1nc2ccccc2nc1CN1CCn2nc(CCC(=O)O)cc2C1
InChIInChI=1S/C19H21N5O2/c1-13-18(21-17-5-3-2-4-16(17)20-13)12-23-8-9-24-15(11-23)10-14(22-24)6-7-19(25)26/h2-5,10H,6-9,11-12H2,1H3,(H,25,26)
InChIKeyYSPAWDCNFPHRMY-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.17
Rot. Bonds5

About 3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (PubChem CID 70777050) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
PubChem CID70777050
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCc1nc2ccccc2nc1CN1CCn2nc(CCC(=O)O)cc2C1
InChIInChI=1S/C19H21N5O2/c1-13-18(21-17-5-3-2-4-16(17)20-13)12-23-8-9-24-15(11-23)10-14(22-24)6-7-19(25)26/h2-5,10H,6-9,11-12H2,1H3,(H,25,26)
InChIKeyYSPAWDCNFPHRMY-UHFFFAOYSA-N
XLogP2.17
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic 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 3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (CID 70777050) is 3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is Cc1nc2ccccc2nc1CN1CCn2nc(CCC(=O)O)cc2C1.
What is the InChIKey of 3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The InChIKey is YSPAWDCNFPHRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-18(21-17-5-3-2-4-16(17)20-13)12-23-8-9-24-15(11-23)10-14(22-24)6-7-19(25)26/h2-5,10H,6-9,11-12H2,1H3,(H,25,26).
What are the key properties of 3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid has a molecular weight of 351.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 70777050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).