[3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone

C23H19F3N4O2 — CID 163697409

About [3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone

[3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 163697409) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is [3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

• Compound Name: [3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
• PubChem CID: 163697409
• Molecular Formula: C23H19F3N4O2
• Molecular Weight: 440.43 g/mol
• Exact Mass: 440.15
• IUPAC Name: [3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
• SMILES: O=C(N1CC(Oc2cc(C3=CC=CC3)cnc2F)C1)N1N=CCC1c1cc(F)cc(F)c1
• InChI: InChI=1S/C23H19F3N4O2/c24-17-7-15(8-18(25)10-17)20-5-6-28-30(20)23(31)29-12-19(13-29)32-21-9-16(11-27-22(21)26)14-3-1-2-4-14/h1-3,6-11,19-20H,4-5,12-13H2
• InChIKey: JYBXCOVHMBXDFB-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 58.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.43
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone?

The IUPAC name of [3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone (CID 163697409) is [3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone.

What is the SMILES notation for [3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone?

The canonical SMILES for [3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone is O=C(N1CC(Oc2cc(C3=CC=CC3)cnc2F)C1)N1N=CCC1c1cc(F)cc(F)c1.

What is the InChIKey of [3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone?

The InChIKey is JYBXCOVHMBXDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c24-17-7-15(8-18(25)10-17)20-5-6-28-30(20)23(31)29-12-19(13-29)32-21-9-16(11-27-22(21)26)14-3-1-2-4-14/h1-3,6-11,19-20H,4-5,12-13H2.

What are the key properties of [3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone?

[3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 440.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(5-cyclopenta-1,3-dien-1-yl-2-fluoro-3-pyridinyl)oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 163697409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).