4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
Basic information
- CAS
847572-55-8- Standard SMILES
Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1Cc1cccnc1- InChIKey
ISLQXEIRVZXLJA-UHFFFAOYSA-N- Molecular formula
- C19H16N4O2
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.12732577
Names & identifiers
- Preferred name
- 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
- IUPAC
- 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
- English name
- 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
- Molecular formula
- C19H16N4O2
- Molecular weight
- 332.36
Names & synonyms
4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione847572-55-8CHEMBL12771224-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione4-methyl-2-phenyl-5-[(pyridin-3-yl)methyl]-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dioneSCHEMBL3618372DTXSID901352433HMS3431N14ALBB-005118BDBM50330688STK207364STK642831
Show more names
1H-Pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione, 4-methyl-2-phenyl-5-(3-pyridinylmethyl)-
AKOS001491934AKOS005574047CCG-123514LS-01934PD085944PD085945ST507659624-Methyl-2-phenyl-5-(3-pyridinylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
Database identifiers
- CAS
847572-55-8- PubChem CID
- 4112136
- DTXSID
DTXSID901352433- ChEMBL
CHEMBL1277122
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 633
Physicochemical properties
- Boiling point
- 523.8 · 523.8±60.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 4.68 · 4.68±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
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Compound notes
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