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

C17H16N4O2 — CID 6419793

IUPAC3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnc3ccc(NCC4CC4)nn23)c1
InChIInChI=1S/C17H16N4O2/c22-17(23)13-3-1-2-12(8-13)14-10-19-16-7-6-15(20-21(14)16)18-9-11-4-5-11/h1-3,6-8,10-11H,4-5,9H2,(H,18,20)(H,22,23)
InChIKeyAQUWOLAKIUTIIO-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.92
Rot. Bonds5

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

3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid (PubChem CID 6419793) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
PubChem CID6419793
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnc3ccc(NCC4CC4)nn23)c1
InChIInChI=1S/C17H16N4O2/c22-17(23)13-3-1-2-12(8-13)14-10-19-16-7-6-15(20-21(14)16)18-9-11-4-5-11/h1-3,6-8,10-11H,4-5,9H2,(H,18,20)(H,22,23)
InChIKeyAQUWOLAKIUTIIO-UHFFFAOYSA-N
XLogP2.92
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The IUPAC name of 3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid (CID 6419793) is 3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid.
What is the SMILES notation for 3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The canonical SMILES for 3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid is O=C(O)c1cccc(-c2cnc3ccc(NCC4CC4)nn23)c1.
What is the InChIKey of 3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The InChIKey is AQUWOLAKIUTIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(23)13-3-1-2-12(8-13)14-10-19-16-7-6-15(20-21(14)16)18-9-11-4-5-11/h1-3,6-8,10-11H,4-5,9H2,(H,18,20)(H,22,23).
What are the key properties of 3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid has a molecular weight of 308.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid is sourced from PubChem (CID 6419793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).