6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid

C17H18N6O2 — CID 77079075

IUPAC6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CCN(c3ccc4nccn4n3)CC2)n1
InChIInChI=1S/C17H18N6O2/c24-17(25)14-3-1-2-13(19-14)12-21-8-10-22(11-9-21)16-5-4-15-18-6-7-23(15)20-16/h1-7H,8-12H2,(H,24,25)
InChIKeyVQNLXSRWCJSNSO-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.14
Rot. Bonds4

About 6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid

6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 77079075) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID77079075
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CCN(c3ccc4nccn4n3)CC2)n1
InChIInChI=1S/C17H18N6O2/c24-17(25)14-3-1-2-13(19-14)12-21-8-10-22(11-9-21)16-5-4-15-18-6-7-23(15)20-16/h1-7H,8-12H2,(H,24,25)
InChIKeyVQNLXSRWCJSNSO-UHFFFAOYSA-N
XLogP1.14
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid (CID 77079075) is 6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CN2CCN(c3ccc4nccn4n3)CC2)n1.
What is the InChIKey of 6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is VQNLXSRWCJSNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-17(25)14-3-1-2-13(19-14)12-21-8-10-22(11-9-21)16-5-4-15-18-6-7-23(15)20-16/h1-7H,8-12H2,(H,24,25).
What are the key properties of 6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 77079075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).