5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

C23H25Cl2FN4O — CID 58659156

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

5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (PubChem CID 58659156) has the molecular formula C23H25Cl2FN4O and a molecular weight of 463.38 g/mol. Its IUPAC name is 5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
• PubChem CID: 58659156
• Molecular Formula: C23H25Cl2FN4O
• Molecular Weight: 463.38 g/mol
• Exact Mass: 462.14
• IUPAC Name: 5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
• SMILES: CC(Oc1cc(-c2cnn(CCC3CCCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C23H25Cl2FN4O/c1-14(21-18(24)6-7-19(26)22(21)25)31-20-10-16(11-28-23(20)27)17-12-29-30(13-17)9-8-15-4-2-3-5-15/h6-7,10-15H,2-5,8-9H2,1H3,(H2,27,28)
• InChIKey: QMQDHIYJTYMBAX-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 65.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.38
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (CID 58659156) is 5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.

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

The canonical SMILES for 5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is CC(Oc1cc(-c2cnn(CCC3CCCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.

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

The InChIKey is QMQDHIYJTYMBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2FN4O/c1-14(21-18(24)6-7-19(26)22(21)25)31-20-10-16(11-28-23(20)27)17-12-29-30(13-17)9-8-15-4-2-3-5-15/h6-7,10-15H,2-5,8-9H2,1H3,(H2,27,28).

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

5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine has a molecular weight of 463.38 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 58659156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).