6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine

C17H18ClFN6 — CID 10451188

IUPAC6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine
SMILESCCN(CC)c1cc(Cl)nnc1Cn1ccnc1-c1cccc(F)n1
InChIInChI=1S/C17H18ClFN6/c1-3-24(4-2)14-10-15(18)23-22-13(14)11-25-9-8-20-17(25)12-6-5-7-16(19)21-12/h5-10H,3-4,11H2,1-2H3
InChIKeyBLSMIHGSXWMBJI-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.42
Rot. Bonds6

About 6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine

6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine (PubChem CID 10451188) has the molecular formula C17H18ClFN6 and a molecular weight of 360.82 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine
PubChem CID10451188
Molecular FormulaC17H18ClFN6
Molecular Weight360.82 g/mol
Exact Mass360.13
IUPAC Name6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine
SMILESCCN(CC)c1cc(Cl)nnc1Cn1ccnc1-c1cccc(F)n1
InChIInChI=1S/C17H18ClFN6/c1-3-24(4-2)14-10-15(18)23-22-13(14)11-25-9-8-20-17(25)12-6-5-7-16(19)21-12/h5-10H,3-4,11H2,1-2H3
InChIKeyBLSMIHGSXWMBJI-UHFFFAOYSA-N
XLogP3.42
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine
CID 58748668
2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine
CID 22335093
7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propylimidazo[1,2-c]pyrimidine
CID 11245036
6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine
CID 58748663
5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 22335063
ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 59542840
2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine
CID 87940435
7-[2-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]ethyl]-1-methyl-8-propylimidazo[1,5-c]pyrimidine
CID 142683030
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500
2-methyl-6-[1-(pyridin-2-ylmethyl)imidazol-2-yl]pyridine
CID 156586380
2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine
CID 21026126

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine?
The IUPAC name of 6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine (CID 10451188) is 6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine?
The canonical SMILES for 6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine is CCN(CC)c1cc(Cl)nnc1Cn1ccnc1-c1cccc(F)n1.
What is the InChIKey of 6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine?
The InChIKey is BLSMIHGSXWMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN6/c1-3-24(4-2)14-10-15(18)23-22-13(14)11-25-9-8-20-17(25)12-6-5-7-16(19)21-12/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine?
6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine has a molecular weight of 360.82 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine is sourced from PubChem (CID 10451188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).