ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate

C18H16FN5O2 — CID 170340745

IUPACethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cc(C)c4nc(C)cn4n3)cc(F)c2n1
InChIInChI=1S/C18H16FN5O2/c1-4-26-18(25)15-9-23-8-12(6-13(19)17(23)21-15)14-5-10(2)16-20-11(3)7-24(16)22-14/h5-9H,4H2,1-3H3
InChIKeyMPRKPDWRFGJBQN-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.98
Rot. Bonds3

About ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 170340745) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID170340745
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Nameethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cc(C)c4nc(C)cn4n3)cc(F)c2n1
InChIInChI=1S/C18H16FN5O2/c1-4-26-18(25)15-9-23-8-12(6-13(19)17(23)21-15)14-5-10(2)16-20-11(3)7-24(16)22-14/h5-9H,4H2,1-3H3
InChIKeyMPRKPDWRFGJBQN-UHFFFAOYSA-N
XLogP2.98
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate (CID 170340745) is ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3cc(C)c4nc(C)cn4n3)cc(F)c2n1.
What is the InChIKey of ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is MPRKPDWRFGJBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-4-26-18(25)15-9-23-8-12(6-13(19)17(23)21-15)14-5-10(2)16-20-11(3)7-24(16)22-14/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 353.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 170340745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).