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

C23H19N3O2 — CID 7647629

IUPAC(8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
SMILESCc1ccc([C@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)cc1
InChIInChI=1S/C23H19N3O2/c1-14-7-9-15(10-8-14)16-11-18-19(20(27)12-16)13-24-22-21(18)23(28)26(25-22)17-5-3-2-4-6-17/h2-10,13,16H,11-12H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyXUHOVTHXWQWVEH-MRXNPFEDSA-N
MW369.42 g/mol
LogP3.93
Rot. Bonds2

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

(8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione (PubChem CID 7647629) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is (8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione.

Molecular Properties

Compound Name(8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
PubChem CID7647629
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name(8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
SMILESCc1ccc([C@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)cc1
InChIInChI=1S/C23H19N3O2/c1-14-7-9-15(10-8-14)16-11-18-19(20(27)12-16)13-24-22-21(18)23(28)26(25-22)17-5-3-2-4-6-17/h2-10,13,16H,11-12H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyXUHOVTHXWQWVEH-MRXNPFEDSA-N
XLogP3.93
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione with MolForge

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Related Compounds

(8S)-8-(4-fluorophenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
CID 7339747
(8R)-8-(2-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
CID 41178199
(8S)-8-methyl-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
CID 41178197
(8R)-2-(4-chlorophenyl)-8-thiophen-2-yl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
CID 41063252
(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
8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505822
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
(9S)-9-phenyl-3-(2-phenylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135881824
(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29100843
3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one
CID 58028137
9-(4-methylphenyl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 4907247

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione?
The IUPAC name of (8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione (CID 7647629) is (8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione.
What is the SMILES notation for (8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione?
The canonical SMILES for (8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione is Cc1ccc([C@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)cc1.
What is the InChIKey of (8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione?
The InChIKey is XUHOVTHXWQWVEH-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-14-7-9-15(10-8-14)16-11-18-19(20(27)12-16)13-24-22-21(18)23(28)26(25-22)17-5-3-2-4-6-17/h2-10,13,16H,11-12H2,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of (8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione?
(8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione has a molecular weight of 369.42 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(4-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione is sourced from PubChem (CID 7647629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).