3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one

C20H16FN3O — CID 170983372

IUPAC3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(-c3ccccc3F)c(=O)c2c(C)n1-c1ccccc1
InChIInChI=1S/C20H16FN3O/c1-13-16-12-22-24(18-11-7-6-10-17(18)21)20(25)19(16)14(2)23(13)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyVLXNYEODYYBVNJ-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.93
Rot. Bonds2

About 3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one

3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one (PubChem CID 170983372) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one
PubChem CID170983372
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(-c3ccccc3F)c(=O)c2c(C)n1-c1ccccc1
InChIInChI=1S/C20H16FN3O/c1-13-16-12-22-24(18-11-7-6-10-17(18)21)20(25)19(16)14(2)23(13)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyVLXNYEODYYBVNJ-UHFFFAOYSA-N
XLogP3.93
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one (CID 170983372) is 3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one is Cc1c2cnn(-c3ccccc3F)c(=O)c2c(C)n1-c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is VLXNYEODYYBVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-13-16-12-22-24(18-11-7-6-10-17(18)21)20(25)19(16)14(2)23(13)15-8-4-3-5-9-15/h3-12H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one?
3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 333.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 170983372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).