4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid

C15H10N4O2 — CID 91601147

IUPAC4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid
SMILESO=C(O)c1cc2c(-n3ncc4ccccc43)ccnn2c1
InChIInChI=1S/C15H10N4O2/c20-15(21)11-7-14-13(5-6-16-18(14)9-11)19-12-4-2-1-3-10(12)8-17-19/h1-9H,(H,20,21)
InChIKeyYNMZFKSEZMWRAZ-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.37
Rot. Bonds2

About 4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid

4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid (PubChem CID 91601147) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid.

Molecular Properties

Compound Name4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid
PubChem CID91601147
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid
SMILESO=C(O)c1cc2c(-n3ncc4ccccc43)ccnn2c1
InChIInChI=1S/C15H10N4O2/c20-15(21)11-7-14-13(5-6-16-18(14)9-11)19-12-4-2-1-3-10(12)8-17-19/h1-9H,(H,20,21)
InChIKeyYNMZFKSEZMWRAZ-UHFFFAOYSA-N
XLogP2.37
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid?
The IUPAC name of 4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid (CID 91601147) is 4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid.
What is the SMILES notation for 4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid?
The canonical SMILES for 4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid is O=C(O)c1cc2c(-n3ncc4ccccc43)ccnn2c1.
What is the InChIKey of 4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid?
The InChIKey is YNMZFKSEZMWRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c20-15(21)11-7-14-13(5-6-16-18(14)9-11)19-12-4-2-1-3-10(12)8-17-19/h1-9H,(H,20,21).
What are the key properties of 4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid?
4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid is sourced from PubChem (CID 91601147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).