4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one

C23H20ClF2N3O3 — CID 60501220

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one
SMILESCOc1ccc(C(=O)C2CCN(c3cnn(-c4ccc(F)cc4F)c(=O)c3Cl)CC2)cc1
InChIInChI=1S/C23H20ClF2N3O3/c1-32-17-5-2-14(3-6-17)22(30)15-8-10-28(11-9-15)20-13-27-29(23(31)21(20)24)19-7-4-16(25)12-18(19)26/h2-7,12-13,15H,8-11H2,1H3
InChIKeyZWUDPSMIBNIZAM-UHFFFAOYSA-N
MW459.88 g/mol
LogP4.27
Rot. Bonds5

About 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one

4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 60501220) has the molecular formula C23H20ClF2N3O3 and a molecular weight of 459.88 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one
PubChem CID60501220
Molecular FormulaC23H20ClF2N3O3
Molecular Weight459.88 g/mol
Exact Mass459.12
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one
SMILESCOc1ccc(C(=O)C2CCN(c3cnn(-c4ccc(F)cc4F)c(=O)c3Cl)CC2)cc1
InChIInChI=1S/C23H20ClF2N3O3/c1-32-17-5-2-14(3-6-17)22(30)15-8-10-28(11-9-15)20-13-27-29(23(31)21(20)24)19-7-4-16(25)12-18(19)26/h2-7,12-13,15H,8-11H2,1H3
InChIKeyZWUDPSMIBNIZAM-UHFFFAOYSA-N
XLogP4.27
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.88
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one (CID 60501220) is 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one is COc1ccc(C(=O)C2CCN(c3cnn(-c4ccc(F)cc4F)c(=O)c3Cl)CC2)cc1.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is ZWUDPSMIBNIZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N3O3/c1-32-17-5-2-14(3-6-17)22(30)15-8-10-28(11-9-15)20-13-27-29(23(31)21(20)24)19-7-4-16(25)12-18(19)26/h2-7,12-13,15H,8-11H2,1H3.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 459.88 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 60501220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).