3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide

C13H16FN5O — CID 126856927

IUPAC3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(F)CCN(c2ccc3nccn3n2)C1
InChIInChI=1S/C13H16FN5O/c1-17(2)12(20)13(14)5-7-18(9-13)11-4-3-10-15-6-8-19(10)16-11/h3-4,6,8H,5,7,9H2,1-2H3
InChIKeyUDBNGBLYBDEHTK-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.74
Rot. Bonds2

About 3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide

3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 126856927) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID126856927
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(F)CCN(c2ccc3nccn3n2)C1
InChIInChI=1S/C13H16FN5O/c1-17(2)12(20)13(14)5-7-18(9-13)11-4-3-10-15-6-8-19(10)16-11/h3-4,6,8H,5,7,9H2,1-2H3
InChIKeyUDBNGBLYBDEHTK-UHFFFAOYSA-N
XLogP0.74
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide (CID 126856927) is 3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide is CN(C)C(=O)C1(F)CCN(c2ccc3nccn3n2)C1.
What is the InChIKey of 3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is UDBNGBLYBDEHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-17(2)12(20)13(14)5-7-18(9-13)11-4-3-10-15-6-8-19(10)16-11/h3-4,6,8H,5,7,9H2,1-2H3.
What are the key properties of 3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide?
3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 126856927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).