2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine

C18H17FN6 — CID 22335093

IUPAC2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)nc2cccnn12
InChIInChI=1S/C18H17FN6/c1-2-5-15-14(23-17-8-4-9-21-25(15)17)12-24-11-10-20-18(24)13-6-3-7-16(19)22-13/h3-4,6-11H,2,5,12H2,1H3
InChIKeyLHWDKZPZWHDOMC-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.13
Rot. Bonds5

About 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine

2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine (PubChem CID 22335093) has the molecular formula C18H17FN6 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine
PubChem CID22335093
Molecular FormulaC18H17FN6
Molecular Weight336.37 g/mol
Exact Mass336.15
IUPAC Name2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)nc2cccnn12
InChIInChI=1S/C18H17FN6/c1-2-5-15-14(23-17-8-4-9-21-25(15)17)12-24-11-10-20-18(24)13-6-3-7-16(19)22-13/h3-4,6-11H,2,5,12H2,1H3
InChIKeyLHWDKZPZWHDOMC-UHFFFAOYSA-N
XLogP3.13
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine (CID 22335093) is 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine is CCCc1c(Cn2ccnc2-c2cccc(F)n2)nc2cccnn12.
What is the InChIKey of 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine?
The InChIKey is LHWDKZPZWHDOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6/c1-2-5-15-14(23-17-8-4-9-21-25(15)17)12-24-11-10-20-18(24)13-6-3-7-16(19)22-13/h3-4,6-11H,2,5,12H2,1H3.
What are the key properties of 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine?
2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine has a molecular weight of 336.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 22335093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).