5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine

C19H13ClFN3O2 — CID 141446386

IUPAC5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine
SMILESCOc1cc(-c2ccn3nccc(Oc4ccccc4F)c23)c(Cl)cn1
InChIInChI=1S/C19H13ClFN3O2/c1-25-18-10-13(14(20)11-22-18)12-7-9-24-19(12)17(6-8-23-24)26-16-5-3-2-4-15(16)21/h2-11H,1H3
InChIKeyNHCQBGKNGUMZQG-UHFFFAOYSA-N
MW369.78 g/mol
LogP4.99
Rot. Bonds4

About 5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine

5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine (PubChem CID 141446386) has the molecular formula C19H13ClFN3O2 and a molecular weight of 369.78 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine
PubChem CID141446386
Molecular FormulaC19H13ClFN3O2
Molecular Weight369.78 g/mol
Exact Mass369.07
IUPAC Name5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine
SMILESCOc1cc(-c2ccn3nccc(Oc4ccccc4F)c23)c(Cl)cn1
InChIInChI=1S/C19H13ClFN3O2/c1-25-18-10-13(14(20)11-22-18)12-7-9-24-19(12)17(6-8-23-24)26-16-5-3-2-4-15(16)21/h2-11H,1H3
InChIKeyNHCQBGKNGUMZQG-UHFFFAOYSA-N
XLogP4.99
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine?
The IUPAC name of 5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine (CID 141446386) is 5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine?
The canonical SMILES for 5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine is COc1cc(-c2ccn3nccc(Oc4ccccc4F)c23)c(Cl)cn1.
What is the InChIKey of 5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine?
The InChIKey is NHCQBGKNGUMZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2/c1-25-18-10-13(14(20)11-22-18)12-7-9-24-19(12)17(6-8-23-24)26-16-5-3-2-4-15(16)21/h2-11H,1H3.
What are the key properties of 5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine?
5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine has a molecular weight of 369.78 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 141446386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).