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

C16H15N5O4 — CID 58243204

IUPAC3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid
SMILESCNC(=O)Nc1cn2nc(COc3cccc(C(=O)O)c3)ccc2n1
InChIInChI=1S/C16H15N5O4/c1-17-16(24)19-13-8-21-14(18-13)6-5-11(20-21)9-25-12-4-2-3-10(7-12)15(22)23/h2-8H,9H2,1H3,(H,22,23)(H2,17,19,24)
InChIKeyBLWQQFODBWAKBI-UHFFFAOYSA-N
MW341.33 g/mol
LogP1.76
Rot. Bonds5

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

3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid (PubChem CID 58243204) has the molecular formula C16H15N5O4 and a molecular weight of 341.33 g/mol. Its IUPAC name is 3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid
PubChem CID58243204
Molecular FormulaC16H15N5O4
Molecular Weight341.33 g/mol
Exact Mass341.11
IUPAC Name3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid
SMILESCNC(=O)Nc1cn2nc(COc3cccc(C(=O)O)c3)ccc2n1
InChIInChI=1S/C16H15N5O4/c1-17-16(24)19-13-8-21-14(18-13)6-5-11(20-21)9-25-12-4-2-3-10(7-12)15(22)23/h2-8H,9H2,1H3,(H,22,23)(H2,17,19,24)
InChIKeyBLWQQFODBWAKBI-UHFFFAOYSA-N
XLogP1.76
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid with MolForge

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Related Compounds

1-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243153
1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243292
N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide
CID 58243304
1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243191
1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243168
1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243277
1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243120
2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117256445
(6-propylimidazo[1,2-b]pyridazin-2-yl)carbamic acid
CID 68605000
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea
CID 58243097
3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide
CID 58243291

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid (CID 58243204) is 3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid is CNC(=O)Nc1cn2nc(COc3cccc(C(=O)O)c3)ccc2n1.
What is the InChIKey of 3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid?
The InChIKey is BLWQQFODBWAKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4/c1-17-16(24)19-13-8-21-14(18-13)6-5-11(20-21)9-25-12-4-2-3-10(7-12)15(22)23/h2-8H,9H2,1H3,(H,22,23)(H2,17,19,24).
What are the key properties of 3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid?
3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid has a molecular weight of 341.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid is sourced from PubChem (CID 58243204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).