(8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione

C17H15N3O2 — CID 41178197

IUPAC(8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
SMILESC[C@@H]1CC(=O)c2cnc3[nH]n(-c4ccccc4)c(=O)c3c2C1
InChIInChI=1S/C17H15N3O2/c1-10-7-12-13(14(21)8-10)9-18-16-15(12)17(22)20(19-16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyXBYKPTDFNYHJET-JTQLQIEISA-N
MW293.33 g/mol
LogP2.48
Rot. Bonds1

About (8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione

(8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione (PubChem CID 41178197) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione.

Molecular Properties

Compound Name(8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
PubChem CID41178197
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
SMILESC[C@@H]1CC(=O)c2cnc3[nH]n(-c4ccccc4)c(=O)c3c2C1
InChIInChI=1S/C17H15N3O2/c1-10-7-12-13(14(21)8-10)9-18-16-15(12)17(22)20(19-16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyXBYKPTDFNYHJET-JTQLQIEISA-N
XLogP2.48
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

(8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
CID 7647629
(8R)-8-(2-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
CID 41178199
(8S)-8-(4-fluorophenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
CID 7339747
(8R)-2-(4-chlorophenyl)-8-thiophen-2-yl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
CID 41063252
8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one
CID 9350282
(7Z)-7-(dimethylaminomethylidene)-2-phenyl-8-(3,4,5-trimethoxyphenyl)-8,9-dihydro-3H-pyrazolo[3,4-c]isoquinoline-1,6-dione
CID 17147988
(8R)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-8-(3-methylphenyl)-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
CID 135896273
9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135646723
4-(4-chlorophenyl)-11-methyl-3,4,8-triazatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-5-one
CID 21270420
bis(4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one);diphenyltin
CID 50897176
5-[4-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenyl-1H-pyrazol-3-one
CID 66504379
11-(4-methoxyphenyl)-14-phenyl-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16)-hexaen-13-one
CID 132545093

Frequently Asked Questions

What is the IUPAC name of (8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione?
The IUPAC name of (8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione (CID 41178197) is (8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione.
What is the SMILES notation for (8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione?
The canonical SMILES for (8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione is C[C@@H]1CC(=O)c2cnc3[nH]n(-c4ccccc4)c(=O)c3c2C1.
What is the InChIKey of (8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione?
The InChIKey is XBYKPTDFNYHJET-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-7-12-13(14(21)8-10)9-18-16-15(12)17(22)20(19-16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione?
(8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione has a molecular weight of 293.33 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione is sourced from PubChem (CID 41178197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).