(7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C21H20N4O2 — CID 159913989

IUPAC(7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(N2C[C@H](C)n3ncc(CC(=O)c4cccnc4)c3C2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-14-5-7-18(8-6-14)24-13-15(2)25-20(21(24)27)17(12-23-25)10-19(26)16-4-3-9-22-11-16/h3-9,11-12,15H,10,13H2,1-2H3/t15-/m0/s1
InChIKeyVFDPVGAHZYEWBX-HNNXBMFYSA-N
MW360.42 g/mol
LogP3.23
Rot. Bonds4

About (7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 159913989) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is (7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID159913989
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name(7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(N2C[C@H](C)n3ncc(CC(=O)c4cccnc4)c3C2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-14-5-7-18(8-6-14)24-13-15(2)25-20(21(24)27)17(12-23-25)10-19(26)16-4-3-9-22-11-16/h3-9,11-12,15H,10,13H2,1-2H3/t15-/m0/s1
InChIKeyVFDPVGAHZYEWBX-HNNXBMFYSA-N
XLogP3.23
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one 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 (7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 159913989) is (7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(N2C[C@H](C)n3ncc(CC(=O)c4cccnc4)c3C2=O)cc1.
What is the InChIKey of (7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VFDPVGAHZYEWBX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-5-7-18(8-6-14)24-13-15(2)25-20(21(24)27)17(12-23-25)10-19(26)16-4-3-9-22-11-16/h3-9,11-12,15H,10,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 360.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 159913989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).