6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine

C27H22ClN5O2 — CID 68748796

About 6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine

6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine (PubChem CID 68748796) has the molecular formula C27H22ClN5O2 and a molecular weight of 483.96 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine
• PubChem CID: 68748796
• Molecular Formula: C27H22ClN5O2
• Molecular Weight: 483.96 g/mol
• Exact Mass: 483.15
• IUPAC Name: 6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine
• SMILES: CCc1cc(-c2ccc(Cl)cc2)nnc1Nc1ccc(Oc2ccnc3cc(OC)cnc23)cc1
• InChI: InChI=1S/C27H22ClN5O2/c1-3-17-14-23(18-4-6-19(28)7-5-18)32-33-27(17)31-20-8-10-21(11-9-20)35-25-12-13-29-24-15-22(34-2)16-30-26(24)25/h4-16H,3H2,1-2H3,(H,31,33)
• InChIKey: FTWSYJUAEOINGR-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 82.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.96
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine?

The IUPAC name of 6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine (CID 68748796) is 6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine.

What is the SMILES notation for 6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine?

The canonical SMILES for 6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine is CCc1cc(-c2ccc(Cl)cc2)nnc1Nc1ccc(Oc2ccnc3cc(OC)cnc23)cc1.

What is the InChIKey of 6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine?

The InChIKey is FTWSYJUAEOINGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN5O2/c1-3-17-14-23(18-4-6-19(28)7-5-18)32-33-27(17)31-20-8-10-21(11-9-20)35-25-12-13-29-24-15-22(34-2)16-30-26(24)25/h4-16H,3H2,1-2H3,(H,31,33).

What are the key properties of 6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine?

6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine has a molecular weight of 483.96 g/mol, XLogP of 6.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-4-ethyl-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]pyridazin-3-amine is sourced from PubChem (CID 68748796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).