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

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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).