4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine

C14H12BrFN4 — CID 86723274

IUPAC4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine
SMILESCC(C)n1cnc2c(-c3ccc(F)c(Br)c3)cnnc21
InChIInChI=1S/C14H12BrFN4/c1-8(2)20-7-17-13-10(6-18-19-14(13)20)9-3-4-12(16)11(15)5-9/h3-8H,1-2H3
InChIKeyCBOGUDQXRCXFAY-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.98
Rot. Bonds2

About 4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine

4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine (PubChem CID 86723274) has the molecular formula C14H12BrFN4 and a molecular weight of 335.18 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine
PubChem CID86723274
Molecular FormulaC14H12BrFN4
Molecular Weight335.18 g/mol
Exact Mass334.02
IUPAC Name4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine
SMILESCC(C)n1cnc2c(-c3ccc(F)c(Br)c3)cnnc21
InChIInChI=1S/C14H12BrFN4/c1-8(2)20-7-17-13-10(6-18-19-14(13)20)9-3-4-12(16)11(15)5-9/h3-8H,1-2H3
InChIKeyCBOGUDQXRCXFAY-UHFFFAOYSA-N
XLogP3.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 147231578
CID 147231578
4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine
CID 86723232
4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
CID 90218309
4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
CID 91801272
4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine
CID 90224612
7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
CID 175962275
3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide
CID 130200333
3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole
CID 107954691
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
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
1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 82802193

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine (CID 86723274) is 4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine is CC(C)n1cnc2c(-c3ccc(F)c(Br)c3)cnnc21.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine?
The InChIKey is CBOGUDQXRCXFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4/c1-8(2)20-7-17-13-10(6-18-19-14(13)20)9-3-4-12(16)11(15)5-9/h3-8H,1-2H3.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine?
4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine has a molecular weight of 335.18 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine is sourced from PubChem (CID 86723274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).