[3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone

C24H24FN5O — CID 126745742

About [3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone

[3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone (PubChem CID 126745742) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is [3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone.

Molecular Properties

• Compound Name: [3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone
• PubChem CID: 126745742
• Molecular Formula: C24H24FN5O
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.20
• IUPAC Name: [3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone
• SMILES: Cc1ccc(NC2CC3CCC2N(C(=O)c2ncccc2-c2ncccc2F)C3)nc1
• InChI: InChI=1S/C24H24FN5O/c1-15-6-9-21(28-13-15)29-19-12-16-7-8-20(19)30(14-16)24(31)23-17(4-2-10-27-23)22-18(25)5-3-11-26-22/h2-6,9-11,13,16,19-20H,7-8,12,14H2,1H3,(H,28,29)
• InChIKey: QHUZFKMOQUVJIO-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone?

The IUPAC name of [3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone (CID 126745742) is [3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone.

What is the SMILES notation for [3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone?

The canonical SMILES for [3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone is Cc1ccc(NC2CC3CCC2N(C(=O)c2ncccc2-c2ncccc2F)C3)nc1.

What is the InChIKey of [3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone?

The InChIKey is QHUZFKMOQUVJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-15-6-9-21(28-13-15)29-19-12-16-7-8-20(19)30(14-16)24(31)23-17(4-2-10-27-23)22-18(25)5-3-11-26-22/h2-6,9-11,13,16,19-20H,7-8,12,14H2,1H3,(H,28,29).

What are the key properties of [3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone?

[3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone has a molecular weight of 417.49 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-fluoro-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone is sourced from PubChem (CID 126745742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).