N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide

C16H13FN6O — CID 170593703

IUPACN-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide
SMILESCc1cn2nc(-c3cc(F)c4nc(NC=O)cn4c3)cc(C)c2n1
InChIInChI=1S/C16H13FN6O/c1-9-3-13(21-23-5-10(2)19-15(9)23)11-4-12(17)16-20-14(18-8-24)7-22(16)6-11/h3-8H,1-2H3,(H,18,24)
InChIKeyZRRGQASFTOHLIS-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.37
Rot. Bonds3

About N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide

N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide (PubChem CID 170593703) has the molecular formula C16H13FN6O and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide
PubChem CID170593703
Molecular FormulaC16H13FN6O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC NameN-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide
SMILESCc1cn2nc(-c3cc(F)c4nc(NC=O)cn4c3)cc(C)c2n1
InChIInChI=1S/C16H13FN6O/c1-9-3-13(21-23-5-10(2)19-15(9)23)11-4-12(17)16-20-14(18-8-24)7-22(16)6-11/h3-8H,1-2H3,(H,18,24)
InChIKeyZRRGQASFTOHLIS-UHFFFAOYSA-N
XLogP2.37
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide?
The IUPAC name of N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide (CID 170593703) is N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide.
What is the SMILES notation for N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide?
The canonical SMILES for N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide is Cc1cn2nc(-c3cc(F)c4nc(NC=O)cn4c3)cc(C)c2n1.
What is the InChIKey of N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide?
The InChIKey is ZRRGQASFTOHLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O/c1-9-3-13(21-23-5-10(2)19-15(9)23)11-4-12(17)16-20-14(18-8-24)7-22(16)6-11/h3-8H,1-2H3,(H,18,24).
What are the key properties of N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide?
N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide has a molecular weight of 324.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide is sourced from PubChem (CID 170593703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).