4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine

C₂₅H₂₆F₃N₅O₂ — CID 121379520

About 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 121379520) has the molecular formula C₂₅H₂₆F₃N₅O₂ and a molecular weight of 485.51 g/mol. Its IUPAC name is 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
• PubChem CID: 121379520
• Molecular Formula: C₂₅H₂₆F₃N₅O₂
• Molecular Weight: 485.51 g/mol
• Exact Mass: 485.20
• IUPAC Name: 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
• SMILES: Cc1cc(OCc2c(F)ccc(F)c2F)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1
• InChI: InChI=1S/C25H26F3N5O2/c1-16-11-22-24(18-13-29-32(14-18)6-5-31-7-9-34-10-8-31)17(2)30-33(22)23(12-16)35-15-19-20(26)3-4-21(27)25(19)28/h3-4,11-14H,5-10,15H2,1-2H3
• InChIKey: VAQOSCRBLCSDQP-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 56.82 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.51
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
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 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?

The IUPAC name of 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine (CID 121379520) is 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine.

What is the SMILES notation for 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?

The canonical SMILES for 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine is Cc1cc(OCc2c(F)ccc(F)c2F)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1.

What is the InChIKey of 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?

The InChIKey is VAQOSCRBLCSDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-16-11-22-24(18-13-29-32(14-18)6-5-31-7-9-34-10-8-31)17(2)30-33(22)23(12-16)35-15-19-20(26)3-4-21(27)25(19)28/h3-4,11-14H,5-10,15H2,1-2H3.

What are the key properties of 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?

4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 485.51 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 121379520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121379520 — identifiers, structure, computed properties (public domain)

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