4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one

C18H21ClFN3O — CID 19245539

IUPAC4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESCN(c1cnn(Cc2ccc(F)cc2)c(=O)c1Cl)C1CCCCC1
InChIInChI=1S/C18H21ClFN3O/c1-22(15-5-3-2-4-6-15)16-11-21-23(18(24)17(16)19)12-13-7-9-14(20)10-8-13/h7-11,15H,2-6,12H2,1H3
InChIKeyAMFSDWHYYYDOPP-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.85
Rot. Bonds4

About 4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one

4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 19245539) has the molecular formula C18H21ClFN3O and a molecular weight of 349.84 g/mol. Its IUPAC name is 4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one
PubChem CID19245539
Molecular FormulaC18H21ClFN3O
Molecular Weight349.84 g/mol
Exact Mass349.14
IUPAC Name4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESCN(c1cnn(Cc2ccc(F)cc2)c(=O)c1Cl)C1CCCCC1
InChIInChI=1S/C18H21ClFN3O/c1-22(15-5-3-2-4-6-15)16-11-21-23(18(24)17(16)19)12-13-7-9-14(20)10-8-13/h7-11,15H,2-6,12H2,1H3
InChIKeyAMFSDWHYYYDOPP-UHFFFAOYSA-N
XLogP3.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one (CID 19245539) is 4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one is CN(c1cnn(Cc2ccc(F)cc2)c(=O)c1Cl)C1CCCCC1.
What is the InChIKey of 4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is AMFSDWHYYYDOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O/c1-22(15-5-3-2-4-6-15)16-11-21-23(18(24)17(16)19)12-13-7-9-14(20)10-8-13/h7-11,15H,2-6,12H2,1H3.
What are the key properties of 4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 349.84 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 19245539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).