2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid

C20H23N3O3 — CID 69308065

IUPAC2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid
SMILESCCc1ccc2c(-c3cncc(C)c3)c(CCOCC(=O)O)c(C)nn12
InChIInChI=1S/C20H23N3O3/c1-4-16-5-6-18-20(15-9-13(2)10-21-11-15)17(14(3)22-23(16)18)7-8-26-12-19(24)25/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,24,25)
InChIKeyOWVMMFMFWBOLRS-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.22
Rot. Bonds7

About 2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid

2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid (PubChem CID 69308065) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid
PubChem CID69308065
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid
SMILESCCc1ccc2c(-c3cncc(C)c3)c(CCOCC(=O)O)c(C)nn12
InChIInChI=1S/C20H23N3O3/c1-4-16-5-6-18-20(15-9-13(2)10-21-11-15)17(14(3)22-23(16)18)7-8-26-12-19(24)25/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,24,25)
InChIKeyOWVMMFMFWBOLRS-UHFFFAOYSA-N
XLogP3.22
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]-3-hydroxybutanoic acid
CID 174483562
3-[2-(cyclopropylmethoxymethyl)-7-ethyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]propanoic acid
CID 68802512
ethyl 4-[2-(acetyloxymethyl)-7-ethyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]butanoate
CID 68802736
5-[7-ethyl-4-(3-methoxyphenyl)-2-methylpyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
CID 68805234
4-[7-ethyl-2-(methoxymethyl)-4-(5-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]butanoic acid
CID 68802349
ethyl 5-(7-ethyl-2-methyl-4-phenylpyrrolo[1,2-b]pyridazin-3-yl)pentanoate
CID 69307001
5-[7-ethyl-2-methyl-4-[3-(1,3-oxazol-5-yl)phenyl]pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
CID 69308836
ethyl 5-[4-(3,5-dichlorophenyl)-7-ethyl-2-methylpyrrolo[1,2-b]pyridazin-3-yl]pentanoate
CID 69311551
5-[4-(5-bromo-3-pyridinyl)-7-ethyl-2-(2-methylpropoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
CID 68802019
5-[4-(5-cyano-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
CID 69306988
3-[4-(5-ethenyl-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]propanoic acid
CID 68804247
4-[4-(5-bromo-3-pyridinyl)-2-(dimethylcarbamoyloxymethyl)-7-ethylpyrrolo[1,2-b]pyridazin-3-yl]butanoic acid
CID 69308192

Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid (CID 69308065) is 2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid is CCc1ccc2c(-c3cncc(C)c3)c(CCOCC(=O)O)c(C)nn12.
What is the InChIKey of 2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid?
The InChIKey is OWVMMFMFWBOLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-16-5-6-18-20(15-9-13(2)10-21-11-15)17(14(3)22-23(16)18)7-8-26-12-19(24)25/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,24,25).
What are the key properties of 2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid?
2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid has a molecular weight of 353.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-ethyl-2-methyl-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]ethoxy]acetic acid is sourced from PubChem (CID 69308065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).