3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine

C22H24Cl2FN5O2 — CID 58688166

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 58688166) has the molecular formula C22H24Cl2FN5O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine
• PubChem CID: 58688166
• Molecular Formula: C22H24Cl2FN5O2
• Molecular Weight: 480.37 g/mol
• Exact Mass: 479.13
• IUPAC Name: 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine
• SMILES: CC(Oc1cc(-c2cn(CCN3CCOCC3)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C22H24Cl2FN5O2/c1-14(20-16(23)2-3-17(25)21(20)24)32-19-10-15(11-27-22(19)26)18-12-30(13-28-18)5-4-29-6-8-31-9-7-29/h2-3,10-14H,4-9H2,1H3,(H2,26,27)
• InChIKey: NFFJTXYKAWJSTK-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.37
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine?

The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine (CID 58688166) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine.

What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine?

The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine is CC(Oc1cc(-c2cn(CCN3CCOCC3)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine?

The InChIKey is NFFJTXYKAWJSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2FN5O2/c1-14(20-16(23)2-3-17(25)21(20)24)32-19-10-15(11-27-22(19)26)18-12-30(13-28-18)5-4-29-6-8-31-9-7-29/h2-3,10-14H,4-9H2,1H3,(H2,26,27).

What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine?

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 480.37 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 58688166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).