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

C24H24FN5O — CID 130231661

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

[3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 130231661) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• PubChem CID: 130231661
• Molecular Formula: C24H24FN5O
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.20
• IUPAC Name: [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• SMILES: Cc1ccc(NC2CC3CC2N(C(=O)c2ncc(C)cc2-c2ncccc2F)C3)nc1
• InChI: InChI=1S/C24H24FN5O/c1-14-5-6-21(27-11-14)29-19-9-16-10-20(19)30(13-16)24(31)23-17(8-15(2)12-28-23)22-18(25)4-3-7-26-22/h3-8,11-12,16,19-20H,9-10,13H2,1-2H3,(H,27,29)
• InChIKey: KDXPTGMKKPRQLY-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 [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The IUPAC name of [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 130231661) is [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

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

The canonical SMILES for [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1ccc(NC2CC3CC2N(C(=O)c2ncc(C)cc2-c2ncccc2F)C3)nc1.

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

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

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

[3-(3-fluoro-2-pyridinyl)-5-methyl-2-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 [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 130231661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).