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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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).