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

C16H16FN3O2 — CID 66494977

IUPAC5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(C)[nH]c2cc(=O)n1C(C)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-9(11-4-6-12(17)7-5-11)20-10(2)15-13(8-14(20)21)18-19(3)16(15)22/h4-9,18H,1-3H3
InChIKeyRTOZXGFTDYTSRI-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.09
Rot. Bonds2

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

5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66494977) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66494977
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(C)[nH]c2cc(=O)n1C(C)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-9(11-4-6-12(17)7-5-11)20-10(2)15-13(8-14(20)21)18-19(3)16(15)22/h4-9,18H,1-3H3
InChIKeyRTOZXGFTDYTSRI-UHFFFAOYSA-N
XLogP2.09
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66494977) is 5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(C)[nH]c2cc(=O)n1C(C)c1ccc(F)cc1.
What is the InChIKey of 5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is RTOZXGFTDYTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-9(11-4-6-12(17)7-5-11)20-10(2)15-13(8-14(20)21)18-19(3)16(15)22/h4-9,18H,1-3H3.
What are the key properties of 5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 301.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66494977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).