[6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol

C22H23FN4O2 — CID 170384355

About [6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol

[6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol (PubChem CID 170384355) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is [6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
• PubChem CID: 170384355
• Molecular Formula: C22H23FN4O2
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.18
• IUPAC Name: [6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
• SMILES: NCc1ccccc1-c1ccc(N2CC[C@H](Oc3ccc(F)cn3)C2)c(CO)n1
• InChI: InChI=1S/C22H23FN4O2/c23-16-5-8-22(25-12-16)29-17-9-10-27(13-17)21-7-6-19(26-20(21)14-28)18-4-2-1-3-15(18)11-24/h1-8,12,17,28H,9-11,13-14,24H2/t17-/m0/s1
• InChIKey: IDXBQXBAIDBWRV-KRWDZBQOSA-N
• XLogP: 2.89
• TPSA: 84.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?

The IUPAC name of [6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol (CID 170384355) is [6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol.

What is the SMILES notation for [6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?

The canonical SMILES for [6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol is NCc1ccccc1-c1ccc(N2CC[C@H](Oc3ccc(F)cn3)C2)c(CO)n1.

What is the InChIKey of [6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?

The InChIKey is IDXBQXBAIDBWRV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-16-5-8-22(25-12-16)29-17-9-10-27(13-17)21-7-6-19(26-20(21)14-28)18-4-2-1-3-15(18)11-24/h1-8,12,17,28H,9-11,13-14,24H2/t17-/m0/s1.

What are the key properties of [6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?

[6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol has a molecular weight of 394.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 170384355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).