6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

C23H23N3O2 — CID 7339999

IUPAC6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C23H23N3O2/c1-14(2)17-11-9-16(10-12-17)13-19-15(3)24-22-20(21(19)27)23(28)26(25-22)18-7-5-4-6-8-18/h4-12,14H,13H2,1-3H3,(H2,24,25,27)
InChIKeyXVEYWTBQFMTGAM-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.03
Rot. Bonds4

About 6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (PubChem CID 7339999) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.

Molecular Properties

Compound Name6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
PubChem CID7339999
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C23H23N3O2/c1-14(2)17-11-9-16(10-12-17)13-19-15(3)24-22-20(21(19)27)23(28)26(25-22)18-7-5-4-6-8-18/h4-12,14H,13H2,1-3H3,(H2,24,25,27)
InChIKeyXVEYWTBQFMTGAM-UHFFFAOYSA-N
XLogP4.03
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-5-[(4-methylphenyl)methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 6464097
5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 6463277
5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 3162805
2-(4-fluorophenyl)-6-methyl-5-[(3-methylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 17067629
5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 17355008
4-benzyl-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 69343421
5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one
CID 11475141
3-(4-propan-2-ylphenyl)-2H-phthalazine-1,4-dione
CID 21106573
5-methyl-4-[1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl]-2-phenyl-1H-pyrazol-3-one
CID 147475036
5-methyl-2-phenyl-4-(2-sulfanylethyl)-1H-pyrazol-3-one
CID 91083231
N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide
CID 177374356
4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one
CID 117123478

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The IUPAC name of 6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (CID 7339999) is 6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
What is the SMILES notation for 6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The canonical SMILES for 6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is Cc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1Cc1ccc(C(C)C)cc1.
What is the InChIKey of 6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The InChIKey is XVEYWTBQFMTGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14(2)17-11-9-16(10-12-17)13-19-15(3)24-22-20(21(19)27)23(28)26(25-22)18-7-5-4-6-8-18/h4-12,14H,13H2,1-3H3,(H2,24,25,27).
What are the key properties of 6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione has a molecular weight of 373.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-5-[(4-propan-2-ylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is sourced from PubChem (CID 7339999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).