5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C20H15F2N3O2 — CID 66494844

IUPAC5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cccc(-n2[nH]c3cc(=O)n(-c4ccc(F)c(F)c4)c(C)c3c2=O)c1
InChIInChI=1S/C20H15F2N3O2/c1-11-4-3-5-14(8-11)25-20(27)19-12(2)24(18(26)10-17(19)23-25)13-6-7-15(21)16(22)9-13/h3-10,23H,1-2H3
InChIKeyWACRBCUTYBJMIJ-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.36
Rot. Bonds2

About 5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66494844) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66494844
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cccc(-n2[nH]c3cc(=O)n(-c4ccc(F)c(F)c4)c(C)c3c2=O)c1
InChIInChI=1S/C20H15F2N3O2/c1-11-4-3-5-14(8-11)25-20(27)19-12(2)24(18(26)10-17(19)23-25)13-6-7-15(21)16(22)9-13/h3-10,23H,1-2H3
InChIKeyWACRBCUTYBJMIJ-UHFFFAOYSA-N
XLogP3.36
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.36
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

5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494834
2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495077
5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494746
2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494761
5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494961
2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494735
5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 4093447
5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494836
5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 5296574
2-(4-fluorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42537056
5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione
CID 2725986
5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42582120

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66494844) is 5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1cccc(-n2[nH]c3cc(=O)n(-c4ccc(F)c(F)c4)c(C)c3c2=O)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is WACRBCUTYBJMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c1-11-4-3-5-14(8-11)25-20(27)19-12(2)24(18(26)10-17(19)23-25)13-6-7-15(21)16(22)9-13/h3-10,23H,1-2H3.
What are the key properties of 5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 367.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66494844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).