4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine

C22H21FN4O2S — CID 90224612

IUPAC4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine
SMILESCCCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc21
InChIInChI=1S/C22H21FN4O2S/c1-3-11-27-14-24-21-19(13-25-26-22(21)27)16-7-10-20(23)18(12-16)15-5-8-17(9-6-15)30(28,29)4-2/h5-10,12-14H,3-4,11H2,1-2H3
InChIKeyCIHIQBHPOMERRH-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.50
Rot. Bonds6

About 4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine

4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine (PubChem CID 90224612) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine
PubChem CID90224612
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine
SMILESCCCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc21
InChIInChI=1S/C22H21FN4O2S/c1-3-11-27-14-24-21-19(13-25-26-22(21)27)16-7-10-20(23)18(12-16)15-5-8-17(9-6-15)30(28,29)4-2/h5-10,12-14H,3-4,11H2,1-2H3
InChIKeyCIHIQBHPOMERRH-UHFFFAOYSA-N
XLogP4.50
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
CID 90218309
4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine
CID 86723232
4-[3-(4-cyclopropylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]-7-ethylimidazo[4,5-c]pyridazine
CID 90218258
4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
CID 91801272
7-ethyl-4-[4-fluoro-3-[2-methoxy-4-[(1S)-1-methylsulfonylethyl]phenyl]phenyl]imidazo[4,5-c]pyridazine
CID 175946639
3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide
CID 130200333
7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
CID 170334649
7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
CID 175962275
7-ethyl-4-[4-fluoro-3-(7-methoxy-1-methylindazol-6-yl)phenyl]imidazo[4,5-c]pyridazine
CID 170334739
3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-2-methoxy-1,8-naphthyridine
CID 169156271
6-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-7-methoxy-3-methyl-1,3-benzoxazol-2-one
CID 170573067
7-ethyl-4-[4-fluoro-3-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl]imidazo[4,5-c]pyridazine
CID 169156282

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine?
The IUPAC name of 4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine (CID 90224612) is 4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine.
What is the SMILES notation for 4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine?
The canonical SMILES for 4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine is CCCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc21.
What is the InChIKey of 4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine?
The InChIKey is CIHIQBHPOMERRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-3-11-27-14-24-21-19(13-25-26-22(21)27)16-7-10-20(23)18(12-16)15-5-8-17(9-6-15)30(28,29)4-2/h5-10,12-14H,3-4,11H2,1-2H3.
What are the key properties of 4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine?
4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine has a molecular weight of 424.50 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine is sourced from PubChem (CID 90224612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).