5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one

C23H16FN3O — CID 564081

IUPAC5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one
SMILESO=c1cc2c(nn1-c1ccc(F)cc1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C23H16FN3O/c24-17-10-12-18(13-11-17)27-22(28)14-21-23(25-27)19-8-4-5-9-20(19)26(21)15-16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyMIWXAPSVFFDZOV-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.53
Rot. Bonds3

About 5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one

5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one (PubChem CID 564081) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one.

Molecular Properties

Compound Name5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one
PubChem CID564081
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one
SMILESO=c1cc2c(nn1-c1ccc(F)cc1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C23H16FN3O/c24-17-10-12-18(13-11-17)27-22(28)14-21-23(25-27)19-8-4-5-9-20(19)26(21)15-16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyMIWXAPSVFFDZOV-UHFFFAOYSA-N
XLogP4.53
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-2-[4-(trifluoromethoxy)phenyl]pyridazino[4,3-b]indol-3-one
CID 3971832
3-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026390
5-benzyl-8-fluoro-3-[(4-fluorophenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026464
3-benzyl-5-[(2-chloro-4-fluorophenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026370
9-benzyl-6-fluorocarbazol-4-ol
CID 18671696
5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one
CID 164677881
6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione
CID 141334416
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428
9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid
CID 174930142
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-fluorophenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026416
5-[(4-fluorophenyl)methyl]-8-methyl-3-(2-phenylethyl)pyrimido[5,4-b]indol-4-one
CID 53026598
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one?
The IUPAC name of 5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one (CID 564081) is 5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one.
What is the SMILES notation for 5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one?
The canonical SMILES for 5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one is O=c1cc2c(nn1-c1ccc(F)cc1)c1ccccc1n2Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one?
The InChIKey is MIWXAPSVFFDZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c24-17-10-12-18(13-11-17)27-22(28)14-21-23(25-27)19-8-4-5-9-20(19)26(21)15-16-6-2-1-3-7-16/h1-14H,15H2.
What are the key properties of 5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one?
5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one has a molecular weight of 369.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one is sourced from PubChem (CID 564081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).