5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C21H18FN3O2 — CID 17020016

IUPAC5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1Cc1ccccc1
InChIInChI=1S/C21H18FN3O2/c1-2-18-20-17(12-19(26)24(18)13-14-6-4-3-5-7-14)23-25(21(20)27)16-10-8-15(22)9-11-16/h3-12,23H,2,13H2,1H3
InChIKeyRYPVHNJGJGSXHH-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.23
Rot. Bonds4

About 5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 17020016) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID17020016
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1Cc1ccccc1
InChIInChI=1S/C21H18FN3O2/c1-2-18-20-17(12-19(26)24(18)13-14-6-4-3-5-7-14)23-25(21(20)27)16-10-8-15(22)9-11-16/h3-12,23H,2,13H2,1H3
InChIKeyRYPVHNJGJGSXHH-UHFFFAOYSA-N
XLogP3.23
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.23
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

2-(2-chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo(4,3-C)pyridine-3,6(2H,5H)-dione
CID 58496428
4-Benzylidene-1-(4-iodophenyl)-3,5-pyrazolidinedione
CID 1049055
4-(4-Iodobenzylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione
CID 10301426
Meds433
CID 134686803
5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 5306234
4-((benzyl(methyl)amino)methyl)-2-(2-chloro-4-fluorophenyl)-5-(3-methoxypropyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 49836290
2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CID 49836516
2-(2-Fluorophenyl)-4,5-dimethyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CID 49837573
3-(4,5-dimethyl-3,6-dioxo-5,6-dihydro-1H-pyrazolo[4,3-c]pyridin-2(3H)-yl)benzonitrile
CID 49837681
2-(2-Chlorophenyl)-5-(cyclohexylmethyl)-4-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CID 49837684
2-(2-chlorophenyl)-4-methyl-5-(3-phenylprop-2-ynyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 49837783
7-methyl-2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 145955655

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 17020016) is 5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is CCc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is RYPVHNJGJGSXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-2-18-20-17(12-19(26)24(18)13-14-6-4-3-5-7-14)23-25(21(20)27)16-10-8-15(22)9-11-16/h3-12,23H,2,13H2,1H3.
What are the key properties of 5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 363.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-ethyl-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 17020016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).