3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine

C24H23Cl2FN4O2 — CID 78321560

About 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine

3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine (PubChem CID 78321560) has the molecular formula C24H23Cl2FN4O2 and a molecular weight of 489.38 g/mol. Its IUPAC name is 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine
• PubChem CID: 78321560
• Molecular Formula: C24H23Cl2FN4O2
• Molecular Weight: 489.38 g/mol
• Exact Mass: 488.12
• IUPAC Name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine
• SMILES: COc1ccc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)nc1C1=CCNCC1
• InChI: InChI=1S/C24H23Cl2FN4O2/c1-13(21-16(25)3-4-17(27)22(21)26)33-20-11-15(12-30-24(20)28)18-5-6-19(32-2)23(31-18)14-7-9-29-10-8-14/h3-7,11-13,29H,8-10H2,1-2H3,(H2,28,30)/t13-/m1/s1
• InChIKey: JXZWETPYIXQBTH-CYBMUJFWSA-N
• XLogP: 5.70
• TPSA: 82.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.38
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine?

The IUPAC name of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine (CID 78321560) is 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine.

What is the SMILES notation for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine?

The canonical SMILES for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine is COc1ccc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)nc1C1=CCNCC1.

What is the InChIKey of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine?

The InChIKey is JXZWETPYIXQBTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H23Cl2FN4O2/c1-13(21-16(25)3-4-17(27)22(21)26)33-20-11-15(12-30-24(20)28)18-5-6-19(32-2)23(31-18)14-7-9-29-10-8-14/h3-7,11-13,29H,8-10H2,1-2H3,(H2,28,30)/t13-/m1/s1.

What are the key properties of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine?

3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 489.38 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 78321560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).