3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine

C20H24FN5O — CID 10090490

IUPAC3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine
SMILESCCCc1cc(CCCOC)nnc1Cn1ccnc1-c1cccc(F)n1
InChIInChI=1S/C20H24FN5O/c1-3-6-15-13-16(7-5-12-27-2)24-25-18(15)14-26-11-10-22-20(26)17-8-4-9-19(21)23-17/h4,8-11,13H,3,5-7,12,14H2,1-2H3
InChIKeyVQXDZVJHMCCHMW-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.45
Rot. Bonds9

About 3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine

3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine (PubChem CID 10090490) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine.

Molecular Properties

Compound Name3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine
PubChem CID10090490
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine
SMILESCCCc1cc(CCCOC)nnc1Cn1ccnc1-c1cccc(F)n1
InChIInChI=1S/C20H24FN5O/c1-3-6-15-13-16(7-5-12-27-2)24-25-18(15)14-26-11-10-22-20(26)17-8-4-9-19(21)23-17/h4,8-11,13H,3,5-7,12,14H2,1-2H3
InChIKeyVQXDZVJHMCCHMW-UHFFFAOYSA-N
XLogP3.45
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Jnj-42396302
CID 51352628
5-(3-(Difluoromethyl)-4-fluorophenyl)-3-((2-methyl-1H-imidazol-1-yl)methyl)pyridazine
CID 22240172
SB-210313
CID 9885504
4-[2-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]ethyl]morpholine
CID 9819884
N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
CID 10043599
4-[3-(3-Ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
CID 10544044
4-[4-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine
CID 10619769
4-[5-(4-Fluoro-phenyl)-3-(tetrahydro-pyran-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 22464162
4-{3-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl)-imidazol-1-yl]-propyl}-morpholine
CID 44269265
5-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-phenyl]-2-methoxy-pyrimidine
CID 44395568
3-[6-(2-Methoxyethyl)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-a]pyrazine
CID 53380382
4-[3-[5-(2-Methoxyethyl)-2-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67413438

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine?
The IUPAC name of 3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine (CID 10090490) is 3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine.
What is the SMILES notation for 3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine?
The canonical SMILES for 3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine is CCCc1cc(CCCOC)nnc1Cn1ccnc1-c1cccc(F)n1.
What is the InChIKey of 3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine?
The InChIKey is VQXDZVJHMCCHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-3-6-15-13-16(7-5-12-27-2)24-25-18(15)14-26-11-10-22-20(26)17-8-4-9-19(21)23-17/h4,8-11,13H,3,5-7,12,14H2,1-2H3.
What are the key properties of 3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine?
3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine has a molecular weight of 369.44 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(3-methoxypropyl)-4-propylpyridazine is sourced from PubChem (CID 10090490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).