2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

C23H14Cl2N4O — CID 11690584

IUPAC2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESO=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H14Cl2N4O/c24-16-9-6-10-17(25)23(16)29-20(30)13-12-18(26-29)21-19-11-4-5-14-28(19)27-22(21)15-7-2-1-3-8-15/h1-14H
InChIKeyLGIBGKIWPVOITH-UHFFFAOYSA-N
MW433.30 g/mol
LogP5.52
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (PubChem CID 11690584) has the molecular formula C23H14Cl2N4O and a molecular weight of 433.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
PubChem CID11690584
Molecular FormulaC23H14Cl2N4O
Molecular Weight433.30 g/mol
Exact Mass432.05
IUPAC Name2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESO=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H14Cl2N4O/c24-16-9-6-10-17(25)23(16)29-20(30)13-12-18(26-29)21-19-11-4-5-14-28(19)27-22(21)15-7-2-1-3-8-15/h1-14H
InChIKeyLGIBGKIWPVOITH-UHFFFAOYSA-N
XLogP5.52
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.30
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (CID 11690584) is 2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The InChIKey is LGIBGKIWPVOITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4O/c24-16-9-6-10-17(25)23(16)29-20(30)13-12-18(26-29)21-19-11-4-5-14-28(19)27-22(21)15-7-2-1-3-8-15/h1-14H.
What are the key properties of 2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one has a molecular weight of 433.30 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is sourced from PubChem (CID 11690584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).