6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C16H16N4O4 — CID 126709039

IUPAC6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3cccc(OCC(O)CO)c3)nn12
InChIInChI=1S/C16H16N4O4/c17-16(23)14-7-18-15-5-4-13(19-20(14)15)10-2-1-3-12(6-10)24-9-11(22)8-21/h1-7,11,21-22H,8-9H2,(H2,17,23)
InChIKeyGWPICLMCZUGDQW-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.23
Rot. Bonds6

About 6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126709039) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126709039
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3cccc(OCC(O)CO)c3)nn12
InChIInChI=1S/C16H16N4O4/c17-16(23)14-7-18-15-5-4-13(19-20(14)15)10-2-1-3-12(6-10)24-9-11(22)8-21/h1-7,11,21-22H,8-9H2,(H2,17,23)
InChIKeyGWPICLMCZUGDQW-UHFFFAOYSA-N
XLogP0.23
TPSA122.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 126709039) is 6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(-c3cccc(OCC(O)CO)c3)nn12.
What is the InChIKey of 6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GWPICLMCZUGDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c17-16(23)14-7-18-15-5-4-13(19-20(14)15)10-2-1-3-12(6-10)24-9-11(22)8-21/h1-7,11,21-22H,8-9H2,(H2,17,23).
What are the key properties of 6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126709039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).