6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one

C25H22FN5O2 — CID 118570956

IUPAC6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C25H22FN5O2/c1-16-21-15-27-31(20-7-4-3-5-8-20)25(32)23(21)17(2)30(16)14-6-9-22-28-29-24(33-22)18-10-12-19(26)13-11-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3
InChIKeyLUWYEINVTQDYPV-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.63
Rot. Bonds6

About 6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one

6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one (PubChem CID 118570956) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
PubChem CID118570956
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C25H22FN5O2/c1-16-21-15-27-31(20-7-4-3-5-8-20)25(32)23(21)17(2)30(16)14-6-9-22-28-29-24(33-22)18-10-12-19(26)13-11-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3
InChIKeyLUWYEINVTQDYPV-UHFFFAOYSA-N
XLogP4.63
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,7-dimethyl-6-pentyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 118579926
6-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 118570963
4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)butanamide
CID 20894167
6-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-oxobutyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 92701714
4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide
CID 20894177
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
4-[3-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-6-yl]butanoic acid
CID 53212757
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione
CID 17035023
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]butanamide
CID 92668941
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000

Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one (CID 118570956) is 6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one is Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is LUWYEINVTQDYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-16-21-15-27-31(20-7-4-3-5-8-20)25(32)23(21)17(2)30(16)14-6-9-22-28-29-24(33-22)18-10-12-19(26)13-11-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3.
What are the key properties of 6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 443.48 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 118570956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).