5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid

C20H25N3O5 — CID 69311639

IUPAC5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
SMILESCCc1ccc2c(-c3cc(OC)no3)c(CCCCC(=O)O)c(COC)nn12
InChIInChI=1S/C20H25N3O5/c1-4-13-9-10-16-20(17-11-18(27-3)22-28-17)14(7-5-6-8-19(24)25)15(12-26-2)21-23(13)16/h9-11H,4-8,12H2,1-3H3,(H,24,25)
InChIKeyOZEQTSWGZPCSPX-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.50
Rot. Bonds10

About 5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid

5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid (PubChem CID 69311639) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid.

Molecular Properties

Compound Name5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
PubChem CID69311639
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
SMILESCCc1ccc2c(-c3cc(OC)no3)c(CCCCC(=O)O)c(COC)nn12
InChIInChI=1S/C20H25N3O5/c1-4-13-9-10-16-20(17-11-18(27-3)22-28-17)14(7-5-6-8-19(24)25)15(12-26-2)21-23(13)16/h9-11H,4-8,12H2,1-3H3,(H,24,25)
InChIKeyOZEQTSWGZPCSPX-UHFFFAOYSA-N
XLogP3.50
TPSA99.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-cyanophenyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
CID 68805194
4-[7-ethyl-2-(methoxymethyl)-4-(5-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]butanoic acid
CID 68802349
5-[4-(5-cyano-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
CID 69306988
5-[7-ethyl-4-(3-methoxyphenyl)-2-methylpyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
CID 68805234
3-[4-(5-ethenyl-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]propanoic acid
CID 68804247
5-[4-(5-bromo-3-pyridinyl)-7-ethyl-2-(2-methylpropoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
CID 68802019
methyl 4-[4-(5-bromo-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]butanoate
CID 68802635
ethyl 4-[4-(5-bromo-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]butanoate
CID 68804183
ethyl 3-[4-(5-bromo-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]propanoate
CID 68804304
4-[4-(5-bromo-3-pyridinyl)-2-(dimethylcarbamoyloxymethyl)-7-ethylpyrrolo[1,2-b]pyridazin-3-yl]butanoic acid
CID 69308192
5-[7-ethyl-2-methyl-4-[3-(1,3-oxazol-5-yl)phenyl]pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
CID 69308836
5-[2-[(benzylamino)methyl]-4-(5-bromo-3-pyridinyl)-7-ethylpyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
CID 69307028

Frequently Asked Questions

What is the IUPAC name of 5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid?
The IUPAC name of 5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid (CID 69311639) is 5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid.
What is the SMILES notation for 5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid?
The canonical SMILES for 5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid is CCc1ccc2c(-c3cc(OC)no3)c(CCCCC(=O)O)c(COC)nn12.
What is the InChIKey of 5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid?
The InChIKey is OZEQTSWGZPCSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-4-13-9-10-16-20(17-11-18(27-3)22-28-17)14(7-5-6-8-19(24)25)15(12-26-2)21-23(13)16/h9-11H,4-8,12H2,1-3H3,(H,24,25).
What are the key properties of 5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid?
5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid has a molecular weight of 387.44 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-ethyl-2-(methoxymethyl)-4-(3-methoxy-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid is sourced from PubChem (CID 69311639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).