4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid

C13H15N3O2 — CID 82385130

IUPAC4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccc3cccnn23)CCN1
InChIInChI=1S/C13H15N3O2/c17-13(18)11-8-9(5-7-14-11)12-4-3-10-2-1-6-15-16(10)12/h1-4,6,9,11,14H,5,7-8H2,(H,17,18)
InChIKeyZJXJDMBWQQYXPY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.25
Rot. Bonds2

About 4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid

4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid (PubChem CID 82385130) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid
PubChem CID82385130
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccc3cccnn23)CCN1
InChIInChI=1S/C13H15N3O2/c17-13(18)11-8-9(5-7-14-11)12-4-3-10-2-1-6-15-16(10)12/h1-4,6,9,11,14H,5,7-8H2,(H,17,18)
InChIKeyZJXJDMBWQQYXPY-UHFFFAOYSA-N
XLogP1.25
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid?
The IUPAC name of 4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid (CID 82385130) is 4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid is O=C(O)C1CC(c2ccc3cccnn23)CCN1.
What is the InChIKey of 4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid?
The InChIKey is ZJXJDMBWQQYXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)11-8-9(5-7-14-11)12-4-3-10-2-1-6-15-16(10)12/h1-4,6,9,11,14H,5,7-8H2,(H,17,18).
What are the key properties of 4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid?
4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 82385130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).