N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide

C24H22Cl2FN5O4 — CID 87223068

About N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide

N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide (PubChem CID 87223068) has the molecular formula C24H22Cl2FN5O4 and a molecular weight of 534.38 g/mol. Its IUPAC name is N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide.

Molecular Properties

• Compound Name: N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide
• PubChem CID: 87223068
• Molecular Formula: C24H22Cl2FN5O4
• Molecular Weight: 534.38 g/mol
• Exact Mass: 533.10
• IUPAC Name: N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide
• SMILES: Nc1nnc(N(C=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1OCCc1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C24H22Cl2FN5O4/c25-18-5-6-19(27)22(26)17(18)7-10-36-20-13-21(29-30-23(20)28)32(14-33)16-3-1-15(2-4-16)24(34)31-8-11-35-12-9-31/h1-6,13-14H,7-12H2,(H2,28,30)
• InChIKey: UAJUAFUUPRNEAX-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 110.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.38
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide?

The IUPAC name of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide (CID 87223068) is N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide.

What is the SMILES notation for N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide?

The canonical SMILES for N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide is Nc1nnc(N(C=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1OCCc1c(Cl)ccc(F)c1Cl.

What is the InChIKey of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide?

The InChIKey is UAJUAFUUPRNEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN5O4/c25-18-5-6-19(27)22(26)17(18)7-10-36-20-13-21(29-30-23(20)28)32(14-33)16-3-1-15(2-4-16)24(34)31-8-11-35-12-9-31/h1-6,13-14H,7-12H2,(H2,28,30).

What are the key properties of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide?

N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide has a molecular weight of 534.38 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide is sourced from PubChem (CID 87223068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).