4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one

C13H11N5O3S — CID 153363243

IUPAC4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one
SMILESCOc1nn2cc(-c3cc4c(OC)cc(=O)[nH]n4c3)nc2s1
InChIInChI=1S/C13H11N5O3S/c1-20-10-4-11(19)15-17-5-7(3-9(10)17)8-6-18-12(14-8)22-13(16-18)21-2/h3-6H,1-2H3,(H,15,19)
InChIKeyWDOBUWDBLUXFOG-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.42
Rot. Bonds3

About 4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one

4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one (PubChem CID 153363243) has the molecular formula C13H11N5O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is 4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one.

Molecular Properties

Compound Name4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one
PubChem CID153363243
Molecular FormulaC13H11N5O3S
Molecular Weight317.33 g/mol
Exact Mass317.06
IUPAC Name4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one
SMILESCOc1nn2cc(-c3cc4c(OC)cc(=O)[nH]n4c3)nc2s1
InChIInChI=1S/C13H11N5O3S/c1-20-10-4-11(19)15-17-5-7(3-9(10)17)8-6-18-12(14-8)22-13(16-18)21-2/h3-6H,1-2H3,(H,15,19)
InChIKeyWDOBUWDBLUXFOG-UHFFFAOYSA-N
XLogP1.42
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one?
The IUPAC name of 4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one (CID 153363243) is 4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one.
What is the SMILES notation for 4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one?
The canonical SMILES for 4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one is COc1nn2cc(-c3cc4c(OC)cc(=O)[nH]n4c3)nc2s1.
What is the InChIKey of 4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one?
The InChIKey is WDOBUWDBLUXFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3S/c1-20-10-4-11(19)15-17-5-7(3-9(10)17)8-6-18-12(14-8)22-13(16-18)21-2/h3-6H,1-2H3,(H,15,19).
What are the key properties of 4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one?
4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one has a molecular weight of 317.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one is sourced from PubChem (CID 153363243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).