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

C23H30Cl2FN5O — CID 143190162

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

5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane (PubChem CID 143190162) has the molecular formula C23H30Cl2FN5O and a molecular weight of 482.43 g/mol. Its IUPAC name is 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane.

Molecular Properties

• Compound Name: 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane
• PubChem CID: 143190162
• Molecular Formula: C23H30Cl2FN5O
• Molecular Weight: 482.43 g/mol
• Exact Mass: 481.18
• IUPAC Name: 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane
• SMILES: CC.CC.CC(Oc1cc(-c2cnn(C3CNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C19H18Cl2FN5O.2C2H6/c1-10(17-14(20)2-3-15(22)18(17)21)28-16-4-11(5-25-19(16)23)12-6-26-27(9-12)13-7-24-8-13;2*1-2/h2-6,9-10,13,24H,7-8H2,1H3,(H2,23,25);2*1-2H3
• InChIKey: NIPKIQUTPWCXNE-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 77.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.43
LogP ≤ 5	6.31
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-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane?

The IUPAC name of 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane (CID 143190162) is 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane.

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

The canonical SMILES for 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane is CC.CC.CC(Oc1cc(-c2cnn(C3CNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.

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

The InChIKey is NIPKIQUTPWCXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN5O.2C2H6/c1-10(17-14(20)2-3-15(22)18(17)21)28-16-4-11(5-25-19(16)23)12-6-26-27(9-12)13-7-24-8-13;2*1-2/h2-6,9-10,13,24H,7-8H2,1H3,(H2,23,25);2*1-2H3.

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

5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane has a molecular weight of 482.43 g/mol, XLogP of 6.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane is sourced from PubChem (CID 143190162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).