[2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C24H24FN5O — CID 126745574

About [2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 126745574) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is [2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: [2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• PubChem CID: 126745574
• Molecular Formula: C24H24FN5O
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.20
• IUPAC Name: [2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• SMILES: Cc1ccc(NC2CC3CC2N(C(=O)c2ccc(C)nc2-c2ncccc2F)C3)nc1
• InChI: InChI=1S/C24H24FN5O/c1-14-5-8-21(27-12-14)29-19-10-16-11-20(19)30(13-16)24(31)17-7-6-15(2)28-22(17)23-18(25)4-3-9-26-23/h3-9,12,16,19-20H,10-11,13H2,1-2H3,(H,27,29)
• InChIKey: ZAQHLAPPEIXTFC-UHFFFAOYSA-N
• XLogP: 4.01
• 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	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The IUPAC name of [2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 126745574) is [2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

What is the SMILES notation for [2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The canonical SMILES for [2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1ccc(NC2CC3CC2N(C(=O)c2ccc(C)nc2-c2ncccc2F)C3)nc1.

What is the InChIKey of [2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The InChIKey is ZAQHLAPPEIXTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-14-5-8-21(27-12-14)29-19-10-16-11-20(19)30(13-16)24(31)17-7-6-15(2)28-22(17)23-18(25)4-3-9-26-23/h3-9,12,16,19-20H,10-11,13H2,1-2H3,(H,27,29).

What are the key properties of [2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

[2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 417.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 126745574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).