4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one

C19H16BrCl2N3O2 — CID 10288645

IUPAC4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one
SMILESC[C@H](Nc1cnn(-c2c(Cl)cccc2Cl)c(=O)c1Br)[C@H](O)c1ccccc1
InChIInChI=1S/C19H16BrCl2N3O2/c1-11(18(26)12-6-3-2-4-7-12)24-15-10-23-25(19(27)16(15)20)17-13(21)8-5-9-14(17)22/h2-11,18,24,26H,1H3/t11-,18-/m0/s1
InChIKeyLNOHWYXWLYLOQB-VOJFVSQTSA-N
MW469.17 g/mol
LogP4.84
Rot. Bonds5

About 4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one

4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one (PubChem CID 10288645) has the molecular formula C19H16BrCl2N3O2 and a molecular weight of 469.17 g/mol. Its IUPAC name is 4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one
PubChem CID10288645
Molecular FormulaC19H16BrCl2N3O2
Molecular Weight469.17 g/mol
Exact Mass466.98
IUPAC Name4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one
SMILESC[C@H](Nc1cnn(-c2c(Cl)cccc2Cl)c(=O)c1Br)[C@H](O)c1ccccc1
InChIInChI=1S/C19H16BrCl2N3O2/c1-11(18(26)12-6-3-2-4-7-12)24-15-10-23-25(19(27)16(15)20)17-13(21)8-5-9-14(17)22/h2-11,18,24,26H,1H3/t11-,18-/m0/s1
InChIKeyLNOHWYXWLYLOQB-VOJFVSQTSA-N
XLogP4.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.17
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one (CID 10288645) is 4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one is C[C@H](Nc1cnn(-c2c(Cl)cccc2Cl)c(=O)c1Br)[C@H](O)c1ccccc1.
What is the InChIKey of 4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one?
The InChIKey is LNOHWYXWLYLOQB-VOJFVSQTSA-N. The full InChI is InChI=1S/C19H16BrCl2N3O2/c1-11(18(26)12-6-3-2-4-7-12)24-15-10-23-25(19(27)16(15)20)17-13(21)8-5-9-14(17)22/h2-11,18,24,26H,1H3/t11-,18-/m0/s1.
What are the key properties of 4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one?
4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one has a molecular weight of 469.17 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one is sourced from PubChem (CID 10288645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).