7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine

C22H21FN4O — CID 175962275

IUPAC7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
SMILESCCc1ccc(-c2cc(-c3cnnc4c3ncn4CC)ccc2F)c(OC)c1
InChIInChI=1S/C22H21FN4O/c1-4-14-6-8-16(20(10-14)28-3)17-11-15(7-9-19(17)23)18-12-25-26-22-21(18)24-13-27(22)5-2/h6-13H,4-5H2,1-3H3
InChIKeyJRTKMSNEPWWQGF-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.89
Rot. Bonds5

About 7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine

7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine (PubChem CID 175962275) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
PubChem CID175962275
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
SMILESCCc1ccc(-c2cc(-c3cnnc4c3ncn4CC)ccc2F)c(OC)c1
InChIInChI=1S/C22H21FN4O/c1-4-14-6-8-16(20(10-14)28-3)17-11-15(7-9-19(17)23)18-12-25-26-22-21(18)24-13-27(22)5-2/h6-13H,4-5H2,1-3H3
InChIKeyJRTKMSNEPWWQGF-UHFFFAOYSA-N
XLogP4.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-3-methoxybenzonitrile
CID 155557616
7-ethyl-4-[4-fluoro-3-[2-methoxy-4-[(1S)-1-methylsulfonylethyl]phenyl]phenyl]imidazo[4,5-c]pyridazine
CID 175946639
4-[3-(4-cyclopropylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]-7-ethylimidazo[4,5-c]pyridazine
CID 90218258
5-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-6-methoxy-1,2-benzoxazole
CID 170335103
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
7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
CID 170334649
7-ethyl-4-[4-fluoro-3-(7-methoxy-1-methylindazol-6-yl)phenyl]imidazo[4,5-c]pyridazine
CID 170334739
7-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-8-methoxy-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 170334727
3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-2-methoxy-1,8-naphthyridine
CID 169156271
4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine
CID 86723232
7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine
CID 175489142
6-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-7-methoxy-3-methyl-1,3-benzoxazol-2-one
CID 170573067

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine?
The IUPAC name of 7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine (CID 175962275) is 7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine.
What is the SMILES notation for 7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine?
The canonical SMILES for 7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine is CCc1ccc(-c2cc(-c3cnnc4c3ncn4CC)ccc2F)c(OC)c1.
What is the InChIKey of 7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine?
The InChIKey is JRTKMSNEPWWQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-4-14-6-8-16(20(10-14)28-3)17-11-15(7-9-19(17)23)18-12-25-26-22-21(18)24-13-27(22)5-2/h6-13H,4-5H2,1-3H3.
What are the key properties of 7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine?
7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine has a molecular weight of 376.44 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine is sourced from PubChem (CID 175962275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).