2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one

C15H15FN4O2 — CID 134564197

IUPAC2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCCOc1ccc(-n2nc3c(=O)[nH]nc(C)c3c2C)c(F)c1
InChIInChI=1S/C15H15FN4O2/c1-4-22-10-5-6-12(11(16)7-10)20-9(3)13-8(2)17-18-15(21)14(13)19-20/h5-7H,4H2,1-3H3,(H,18,21)
InChIKeyRNITWPGAZYLKEQ-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.26
Rot. Bonds3

About 2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one

2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 134564197) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID134564197
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCCOc1ccc(-n2nc3c(=O)[nH]nc(C)c3c2C)c(F)c1
InChIInChI=1S/C15H15FN4O2/c1-4-22-10-5-6-12(11(16)7-10)20-9(3)13-8(2)17-18-15(21)14(13)19-20/h5-7H,4H2,1-3H3,(H,18,21)
InChIKeyRNITWPGAZYLKEQ-UHFFFAOYSA-N
XLogP2.26
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one (CID 134564197) is 2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one is CCOc1ccc(-n2nc3c(=O)[nH]nc(C)c3c2C)c(F)c1.
What is the InChIKey of 2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is RNITWPGAZYLKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-4-22-10-5-6-12(11(16)7-10)20-9(3)13-8(2)17-18-15(21)14(13)19-20/h5-7H,4H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 302.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 134564197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).