3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid

C19H20N4O2 — CID 25102960

IUPAC3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnc3ccc(NC4CCCCC4)nn23)c1
InChIInChI=1S/C19H20N4O2/c24-19(25)14-6-4-5-13(11-14)16-12-20-18-10-9-17(22-23(16)18)21-15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8H2,(H,21,22)(H,24,25)
InChIKeyCWPJMRQVTMMOPY-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.84
Rot. Bonds4

About 3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid

3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid (PubChem CID 25102960) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
PubChem CID25102960
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnc3ccc(NC4CCCCC4)nn23)c1
InChIInChI=1S/C19H20N4O2/c24-19(25)14-6-4-5-13(11-14)16-12-20-18-10-9-17(22-23(16)18)21-15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8H2,(H,21,22)(H,24,25)
InChIKeyCWPJMRQVTMMOPY-UHFFFAOYSA-N
XLogP3.84
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The IUPAC name of 3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid (CID 25102960) is 3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid.
What is the SMILES notation for 3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The canonical SMILES for 3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid is O=C(O)c1cccc(-c2cnc3ccc(NC4CCCCC4)nn23)c1.
What is the InChIKey of 3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The InChIKey is CWPJMRQVTMMOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(25)14-6-4-5-13(11-14)16-12-20-18-10-9-17(22-23(16)18)21-15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8H2,(H,21,22)(H,24,25).
What are the key properties of 3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid has a molecular weight of 336.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid is sourced from PubChem (CID 25102960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).