3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one

C19H12ClFN2OS — CID 145260248

IUPAC3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one
SMILESO=c1c2cscc2c(-c2ccc(F)cc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H12ClFN2OS/c20-14-5-1-12(2-6-14)9-23-19(24)17-11-25-10-16(17)18(22-23)13-3-7-15(21)8-4-13/h1-8,10-11H,9H2
InChIKeyAONLDWREBPZOSZ-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.97
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one

3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one (PubChem CID 145260248) has the molecular formula C19H12ClFN2OS and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one
PubChem CID145260248
Molecular FormulaC19H12ClFN2OS
Molecular Weight370.84 g/mol
Exact Mass370.03
IUPAC Name3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one
SMILESO=c1c2cscc2c(-c2ccc(F)cc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H12ClFN2OS/c20-14-5-1-12(2-6-14)9-23-19(24)17-11-25-10-16(17)18(22-23)13-3-7-15(21)8-4-13/h1-8,10-11H,9H2
InChIKeyAONLDWREBPZOSZ-UHFFFAOYSA-N
XLogP4.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]phthalazin-1-one
CID 44724663
tert-butyl N-[[4-[3-[(4-fluorophenyl)methyl]-4-oxophthalazin-1-yl]phenyl]methyl]carbamate
CID 157040236
5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]pyrimidine-2-carbonitrile
CID 146653412
2-[(4-chlorophenyl)methyl]-4-(2-methylpyrimidin-5-yl)phthalazin-1-one
CID 146653419
5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906313
5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906273
2-[(4-chlorophenyl)methyl]-8-(4-fluorophenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione
CID 16898191
2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]phthalazin-1-one
CID 146653757
3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide
CID 91871484
2-(4-chlorobutyl)-4-(4-chlorophenyl)phthalazin-1-one
CID 142711589
5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazole-4-carbaldehyde
CID 94943326
1-[3-[3-[(4-fluorophenyl)methyl]-4-oxophthalazin-1-yl]phenyl]ethanesulfonamide
CID 175387641

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one (CID 145260248) is 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one is O=c1c2cscc2c(-c2ccc(F)cc2)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one?
The InChIKey is AONLDWREBPZOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2OS/c20-14-5-1-12(2-6-14)9-23-19(24)17-11-25-10-16(17)18(22-23)13-3-7-15(21)8-4-13/h1-8,10-11H,9H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one?
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one has a molecular weight of 370.84 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one is sourced from PubChem (CID 145260248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).