4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one

C21H18ClF2N3O2 — CID 47983429

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one
SMILESCC1CN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC(c2ccccc2)O1
InChIInChI=1S/C21H18ClF2N3O2/c1-13-11-26(12-19(29-13)14-5-3-2-4-6-14)18-10-25-27(21(28)20(18)22)17-8-7-15(23)9-16(17)24/h2-10,13,19H,11-12H2,1H3
InChIKeyPIESJLJBPRZTFN-UHFFFAOYSA-N
MW417.84 g/mol
LogP4.13
Rot. Bonds3

About 4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one

4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one (PubChem CID 47983429) has the molecular formula C21H18ClF2N3O2 and a molecular weight of 417.84 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one
PubChem CID47983429
Molecular FormulaC21H18ClF2N3O2
Molecular Weight417.84 g/mol
Exact Mass417.11
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one
SMILESCC1CN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC(c2ccccc2)O1
InChIInChI=1S/C21H18ClF2N3O2/c1-13-11-26(12-19(29-13)14-5-3-2-4-6-14)18-10-25-27(21(28)20(18)22)17-8-7-15(23)9-16(17)24/h2-10,13,19H,11-12H2,1H3
InChIKeyPIESJLJBPRZTFN-UHFFFAOYSA-N
XLogP4.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.84
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)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

Related Compounds

4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one
CID 94174563
4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one
CID 36726677
4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 55832806
4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one
CID 60503924
2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide
CID 55832917
4-chloro-2-(2,4-difluorophenyl)-5-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyridazin-3-one
CID 94414792
4-chloro-2-(2,4-difluorophenyl)-5-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]pyridazin-3-one
CID 133383428
4-chloro-5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(2,4-difluorophenyl)pyridazin-3-one
CID 133448732
tert-butyl N-[1-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methylcarbamate
CID 86777153
4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one
CID 60501220
4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one
CID 133439464
2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 56585217

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one (CID 47983429) is 4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one is CC1CN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC(c2ccccc2)O1.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one?
The InChIKey is PIESJLJBPRZTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N3O2/c1-13-11-26(12-19(29-13)14-5-3-2-4-6-14)18-10-25-27(21(28)20(18)22)17-8-7-15(23)9-16(17)24/h2-10,13,19H,11-12H2,1H3.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one has a molecular weight of 417.84 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one is sourced from PubChem (CID 47983429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).