4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid

C17H16N4O2 — CID 44573514

IUPAC4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1
InChIInChI=1S/C17H16N4O2/c22-17(23)13-5-3-12(4-6-13)14-10-19-16-8-7-15(20-21(14)16)18-9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H,18,20)(H,22,23)
InChIKeyBVUMSYXOGPTUHI-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.92
Rot. Bonds5

About 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid

4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid (PubChem CID 44573514) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
PubChem CID44573514
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1
InChIInChI=1S/C17H16N4O2/c22-17(23)13-5-3-12(4-6-13)14-10-19-16-8-7-15(20-21(14)16)18-9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H,18,20)(H,22,23)
InChIKeyBVUMSYXOGPTUHI-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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Related Compounds

3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2525992
Imidazopyridazin 1
CID 5459373
Zolpidem carboxylic acid
CID 11966044
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
AP-24600
CID 58945624
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid
CID 132471857
4-[(E)-[[1-(1H-benzimidazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzoic acid
CID 10092260
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 24959046
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(2-(dimethylamino)ethyl)-N-methylbenzamide
CID 24959409
4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 24996719

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The IUPAC name of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid (CID 44573514) is 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid.
What is the SMILES notation for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The canonical SMILES for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid is O=C(O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1.
What is the InChIKey of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The InChIKey is BVUMSYXOGPTUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(23)13-5-3-12(4-6-13)14-10-19-16-8-7-15(20-21(14)16)18-9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H,18,20)(H,22,23).
What are the key properties of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
4-[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 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid is sourced from PubChem (CID 44573514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).