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

C13H15N3O2 — CID 82385172

IUPAC1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1ccc2cccnn12
InChIInChI=1S/C13H15N3O2/c17-13(18)11-5-1-2-9-15(11)12-7-6-10-4-3-8-14-16(10)12/h3-4,6-8,11H,1-2,5,9H2,(H,17,18)
InChIKeyZOERZKLNNBXSIF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.78
Rot. Bonds2

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

1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid (PubChem CID 82385172) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid
PubChem CID82385172
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1ccc2cccnn12
InChIInChI=1S/C13H15N3O2/c17-13(18)11-5-1-2-9-15(11)12-7-6-10-4-3-8-14-16(10)12/h3-4,6-8,11H,1-2,5,9H2,(H,17,18)
InChIKeyZOERZKLNNBXSIF-UHFFFAOYSA-N
XLogP1.78
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-2-pyridinyl)piperidine-2-carboxylic acid
CID 71649558
(2S)-1-(4-chlorophenyl)piperidine-2-carboxylic acid
CID 58564077
1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 64831026
1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid
CID 64590146
(2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid
CID 97169146
(2S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 28873916
(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051669
1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563719
1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid
CID 64562162
1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid
CID 43114074
1-(2,1-benzothiazol-3-yl)azepane-2-carboxylic acid
CID 66356548
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767478

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid?
The IUPAC name of 1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid (CID 82385172) is 1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid is O=C(O)C1CCCCN1c1ccc2cccnn12.
What is the InChIKey of 1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid?
The InChIKey is ZOERZKLNNBXSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)11-5-1-2-9-15(11)12-7-6-10-4-3-8-14-16(10)12/h3-4,6-8,11H,1-2,5,9H2,(H,17,18).
What are the key properties of 1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid?
1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolo[1,2-b]pyridazin-7-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 82385172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).