6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid

C14H16N4O3 — CID 138663454

IUPAC6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESCC(=O)N1CCC(c2ccc3nc(C(=O)O)cn3n2)CC1
InChIInChI=1S/C14H16N4O3/c1-9(19)17-6-4-10(5-7-17)11-2-3-13-15-12(14(20)21)8-18(13)16-11/h2-3,8,10H,4-7H2,1H3,(H,20,21)
InChIKeyFLBRCHLXSBFCCJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.15
Rot. Bonds2

About 6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid

6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid (PubChem CID 138663454) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid
PubChem CID138663454
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESCC(=O)N1CCC(c2ccc3nc(C(=O)O)cn3n2)CC1
InChIInChI=1S/C14H16N4O3/c1-9(19)17-6-4-10(5-7-17)11-2-3-13-15-12(14(20)21)8-18(13)16-11/h2-3,8,10H,4-7H2,1H3,(H,20,21)
InChIKeyFLBRCHLXSBFCCJ-UHFFFAOYSA-N
XLogP1.15
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
The IUPAC name of 6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid (CID 138663454) is 6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid.
What is the SMILES notation for 6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
The canonical SMILES for 6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid is CC(=O)N1CCC(c2ccc3nc(C(=O)O)cn3n2)CC1.
What is the InChIKey of 6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
The InChIKey is FLBRCHLXSBFCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9(19)17-6-4-10(5-7-17)11-2-3-13-15-12(14(20)21)8-18(13)16-11/h2-3,8,10H,4-7H2,1H3,(H,20,21).
What are the key properties of 6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid is sourced from PubChem (CID 138663454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).