(3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C19H21FN4O2 — CID 129476479

About (3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 129476479) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• PubChem CID: 129476479
• Molecular Formula: C19H21FN4O2
• Molecular Weight: 356.40 g/mol
• Exact Mass: 356.16
• IUPAC Name: (3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1ccncc1F)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
• InChI: InChI=1S/C19H21FN4O2/c20-16-12-21-8-5-15(16)19(25)24-11-6-14(13-24)26-17-4-3-7-22-18(17)23-9-1-2-10-23/h3-5,7-8,12,14H,1-2,6,9-11,13H2/t14-/m0/s1
• InChIKey: WHHWZPJKDSXAAB-AWEZNQCLSA-N
• XLogP: 2.51
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.40
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The IUPAC name of (3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 129476479) is (3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The canonical SMILES for (3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is O=C(c1ccncc1F)N1CC[C@H](Oc2cccnc2N2CCCC2)C1.

What is the InChIKey of (3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The InChIKey is WHHWZPJKDSXAAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-16-12-21-8-5-15(16)19(25)24-11-6-14(13-24)26-17-4-3-7-22-18(17)23-9-1-2-10-23/h3-5,7-8,12,14H,1-2,6,9-11,13H2/t14-/m0/s1.

What are the key properties of (3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

(3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 356.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129476479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).