6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid

C17H15FN4O2 — CID 66684590

IUPAC6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)nn12
InChIInChI=1S/C17H15FN4O2/c18-12-4-1-3-11(9-12)13-5-2-8-21(13)16-7-6-15-19-10-14(17(23)24)22(15)20-16/h1,3-4,6-7,9-10,13H,2,5,8H2,(H,23,24)
InChIKeyZNYLSIQKGGLFAI-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.91
Rot. Bonds3

About 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 66684590) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID66684590
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)nn12
InChIInChI=1S/C17H15FN4O2/c18-12-4-1-3-11(9-12)13-5-2-8-21(13)16-7-6-15-19-10-14(17(23)24)22(15)20-16/h1,3-4,6-7,9-10,13H,2,5,8H2,(H,23,24)
InChIKeyZNYLSIQKGGLFAI-UHFFFAOYSA-N
XLogP2.91
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid (CID 66684590) is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid is O=C(O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)nn12.
What is the InChIKey of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is ZNYLSIQKGGLFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-12-4-1-3-11(9-12)13-5-2-8-21(13)16-7-6-15-19-10-14(17(23)24)22(15)20-16/h1,3-4,6-7,9-10,13H,2,5,8H2,(H,23,24).
What are the key properties of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 326.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 66684590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).