1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid

C11H11IN4O2 — CID 175313249

IUPAC1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3ncc(I)n3n2)C1
InChIInChI=1S/C11H11IN4O2/c12-8-5-13-9-1-2-10(14-16(8)9)15-4-3-7(6-15)11(17)18/h1-2,5,7H,3-4,6H2,(H,17,18)
InChIKeySHLRPIZKFMEBOL-UHFFFAOYSA-N
MW358.14 g/mol
LogP1.24
Rot. Bonds2

About 1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid

1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 175313249) has the molecular formula C11H11IN4O2 and a molecular weight of 358.14 g/mol. Its IUPAC name is 1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
PubChem CID175313249
Molecular FormulaC11H11IN4O2
Molecular Weight358.14 g/mol
Exact Mass357.99
IUPAC Name1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3ncc(I)n3n2)C1
InChIInChI=1S/C11H11IN4O2/c12-8-5-13-9-1-2-10(14-16(8)9)15-4-3-7(6-15)11(17)18/h1-2,5,7H,3-4,6H2,(H,17,18)
InChIKeySHLRPIZKFMEBOL-UHFFFAOYSA-N
XLogP1.24
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.14
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 126708950
6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
CID 170838753
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
CID 170838751
1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 178108022
(3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid
CID 28875677
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide
CID 146669783
[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol
CID 126708947
1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide
CID 126857228
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid (CID 175313249) is 1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ccc3ncc(I)n3n2)C1.
What is the InChIKey of 1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is SHLRPIZKFMEBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O2/c12-8-5-13-9-1-2-10(14-16(8)9)15-4-3-7(6-15)11(17)18/h1-2,5,7H,3-4,6H2,(H,17,18).
What are the key properties of 1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid?
1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 358.14 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 175313249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).