4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine

C21H20Cl2FN5O2 — CID 69045854

IUPAC4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine
SMILESNc1nnc(-c2ccc(N3CCOCC3)nc2)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C21H20Cl2FN5O2/c22-15-2-3-16(24)20(23)14(15)5-8-31-18-11-17(27-28-21(18)25)13-1-4-19(26-12-13)29-6-9-30-10-7-29/h1-4,11-12H,5-10H2,(H2,25,28)
InChIKeyYCACEJBAZGUIBA-UHFFFAOYSA-N
MW464.33 g/mol
LogP4.02
Rot. Bonds6

About 4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine

4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine (PubChem CID 69045854) has the molecular formula C21H20Cl2FN5O2 and a molecular weight of 464.33 g/mol. Its IUPAC name is 4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine
PubChem CID69045854
Molecular FormulaC21H20Cl2FN5O2
Molecular Weight464.33 g/mol
Exact Mass463.10
IUPAC Name4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine
SMILESNc1nnc(-c2ccc(N3CCOCC3)nc2)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C21H20Cl2FN5O2/c22-15-2-3-16(24)20(23)14(15)5-8-31-18-11-17(27-28-21(18)25)13-1-4-19(26-12-13)29-6-9-30-10-7-29/h1-4,11-12H,5-10H2,(H2,25,28)
InChIKeyYCACEJBAZGUIBA-UHFFFAOYSA-N
XLogP4.02
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine?
The IUPAC name of 4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine (CID 69045854) is 4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for 4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine?
The canonical SMILES for 4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine is Nc1nnc(-c2ccc(N3CCOCC3)nc2)cc1OCCc1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine?
The InChIKey is YCACEJBAZGUIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2FN5O2/c22-15-2-3-16(24)20(23)14(15)5-8-31-18-11-17(27-28-21(18)25)13-1-4-19(26-12-13)29-6-9-30-10-7-29/h1-4,11-12H,5-10H2,(H2,25,28).
What are the key properties of 4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine?
4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine has a molecular weight of 464.33 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 69045854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).