5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

C24H26Cl2FN5O — CID 78168616

About 5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (PubChem CID 78168616) has the molecular formula C24H26Cl2FN5O and a molecular weight of 490.41 g/mol. Its IUPAC name is 5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
• PubChem CID: 78168616
• Molecular Formula: C24H26Cl2FN5O
• Molecular Weight: 490.41 g/mol
• Exact Mass: 489.15
• IUPAC Name: 5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
• SMILES: CC(Oc1cc(-c2cnn(C3CCNC4(CCC4)C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)3-4-19(27)22(21)26)33-20-9-15(11-29-23(20)28)16-12-31-32(13-16)17-5-8-30-24(10-17)6-2-7-24/h3-4,9,11-14,17,30H,2,5-8,10H2,1H3,(H2,28,29)
• InChIKey: XGDIXJSPZLXYKS-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 77.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.41
LogP ≤ 5	5.96
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 5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?

The IUPAC name of 5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (CID 78168616) is 5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.

What is the SMILES notation for 5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?

The canonical SMILES for 5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is CC(Oc1cc(-c2cnn(C3CCNC4(CCC4)C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of 5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?

The InChIKey is XGDIXJSPZLXYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)3-4-19(27)22(21)26)33-20-9-15(11-29-23(20)28)16-12-31-32(13-16)17-5-8-30-24(10-17)6-2-7-24/h3-4,9,11-14,17,30H,2,5-8,10H2,1H3,(H2,28,29).

What are the key properties of 5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?

5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine has a molecular weight of 490.41 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 78168616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).