[(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone

C18H19F2N5O2 — CID 169028220

About [(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone

[(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 169028220) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is [(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

• Compound Name: [(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
• PubChem CID: 169028220
• Molecular Formula: C18H19F2N5O2
• Molecular Weight: 375.38 g/mol
• Exact Mass: 375.15
• IUPAC Name: [(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
• SMILES: C[C@@H]1[C@@H](OC2C=CC(F)=CN2)CN1C(=O)N1N=CC[C@H]1c1cncc(F)c1
• InChI: InChI=1S/C18H19F2N5O2/c1-11-16(27-17-3-2-13(19)9-22-17)10-24(11)18(26)25-15(4-5-23-25)12-6-14(20)8-21-7-12/h2-3,5-9,11,15-17,22H,4,10H2,1H3/t11-,15+,16+,17?/m1/s1
• InChIKey: BKZQVOUFJYODEQ-HDYZBLAMSA-N
• XLogP: 2.46
• TPSA: 70.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.38
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?

The IUPAC name of [(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone (CID 169028220) is [(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone.

What is the SMILES notation for [(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?

The canonical SMILES for [(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone is C[C@@H]1[C@@H](OC2C=CC(F)=CN2)CN1C(=O)N1N=CC[C@H]1c1cncc(F)c1.

What is the InChIKey of [(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?

The InChIKey is BKZQVOUFJYODEQ-HDYZBLAMSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-11-16(27-17-3-2-13(19)9-22-17)10-24(11)18(26)25-15(4-5-23-25)12-6-14(20)8-21-7-12/h2-3,5-9,11,15-17,22H,4,10H2,1H3/t11-,15+,16+,17?/m1/s1.

What are the key properties of [(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?

[(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 375.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 169028220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).