5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one

C22H21FN4O — CID 149472948

IUPAC5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one
SMILESCC(C)(CNc1ccc(-c2ccc3c(c2)CC(=O)N3)nn1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O/c1-22(2,16-4-6-17(23)7-5-16)13-24-20-10-9-19(26-27-20)14-3-8-18-15(11-14)12-21(28)25-18/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZBSIKHOWZCPQNY-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.17
Rot. Bonds5

About 5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one

5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 149472948) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one
PubChem CID149472948
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one
SMILESCC(C)(CNc1ccc(-c2ccc3c(c2)CC(=O)N3)nn1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O/c1-22(2,16-4-6-17(23)7-5-16)13-24-20-10-9-19(26-27-20)14-3-8-18-15(11-14)12-21(28)25-18/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZBSIKHOWZCPQNY-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one (CID 149472948) is 5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one is CC(C)(CNc1ccc(-c2ccc3c(c2)CC(=O)N3)nn1)c1ccc(F)cc1.
What is the InChIKey of 5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is ZBSIKHOWZCPQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-22(2,16-4-6-17(23)7-5-16)13-24-20-10-9-19(26-27-20)14-3-8-18-15(11-14)12-21(28)25-18/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one?
5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 376.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 149472948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).