5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one

C25H23ClN4O2 — CID 71103500

IUPAC5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one
SMILESC[C@H](CN)Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23ClN4O2/c1-17(15-27)29-23-16-28-30(21-11-9-20(26)10-12-21)25(31)24(23)32-22-13-7-19(8-14-22)18-5-3-2-4-6-18/h2-14,16-17,29H,15,27H2,1H3/t17-/m1/s1
InChIKeyGQBBUZMNYSPLCA-QGZVFWFLSA-N
MW446.94 g/mol
LogP5.10
Rot. Bonds7

About 5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one

5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one (PubChem CID 71103500) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one.

Molecular Properties

Compound Name5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one
PubChem CID71103500
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one
SMILESC[C@H](CN)Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23ClN4O2/c1-17(15-27)29-23-16-28-30(21-11-9-20(26)10-12-21)25(31)24(23)32-22-13-7-19(8-14-22)18-5-3-2-4-6-18/h2-14,16-17,29H,15,27H2,1H3/t17-/m1/s1
InChIKeyGQBBUZMNYSPLCA-QGZVFWFLSA-N
XLogP5.10
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-(4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenoxy)acetamide
CID 2035750
5-Chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 46172932
2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 53346524
5-Chloro-2-(3,5-dimethylphenyl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 50904521
4-[4-[3-(Aminomethyl)-4-fluorophenyl]phenoxy]-2-(4-chlorophenyl)-5-(4-methylsulfonylpiperazin-1-yl)pyridazin-3-one
CID 16754349
2-(4-Chlorophenyl)-4-[4-(4-fluorophenyl)phenoxy]-5-[4-(hydroxymethyl)piperidin-1-yl]pyridazin-3-one
CID 16754448
N-[[5-[4-[2-(4-chlorophenyl)-3-oxo-5-piperazin-1-ylpyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide
CID 16754450
5-(4-Acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-[4-[4-fluoro-2-(methoxymethoxy)phenyl]phenoxy]pyridazin-3-one
CID 58585174
2-(4-Chlorophenyl)-4-[4-(4-fluoro-2-hydroxyphenyl)phenoxy]-5-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-one
CID 58585180
5-(4-Methylpiperazin-4-ium-1-yl)-4-(4-phenylphenoxy)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 58585195
5-(4-Methylpiperazin-1-yl)-4-(4-phenylphenoxy)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 58585196
5-(4-Acetylpiperazin-1-yl)-4-[4-(3-amino-4-fluorophenyl)phenoxy]-2-(4-chlorophenyl)pyridazin-3-one
CID 58585207

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one?
The IUPAC name of 5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one (CID 71103500) is 5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one.
What is the SMILES notation for 5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one?
The canonical SMILES for 5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one is C[C@H](CN)Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one?
The InChIKey is GQBBUZMNYSPLCA-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-17(15-27)29-23-16-28-30(21-11-9-20(26)10-12-21)25(31)24(23)32-22-13-7-19(8-14-22)18-5-3-2-4-6-18/h2-14,16-17,29H,15,27H2,1H3/t17-/m1/s1.
What are the key properties of 5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one?
5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one has a molecular weight of 446.94 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one is sourced from PubChem (CID 71103500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).