6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine

C25H24FN7 — CID 129033164

About 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine

6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine (PubChem CID 129033164) has the molecular formula C25H24FN7 and a molecular weight of 441.51 g/mol. Its IUPAC name is 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine
• PubChem CID: 129033164
• Molecular Formula: C25H24FN7
• Molecular Weight: 441.51 g/mol
• Exact Mass: 441.21
• IUPAC Name: 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine
• SMILES: Cc1cc(-c2ncc(CNc3ncnc(N4CCc5ncccc5C4)c3F)cc2C)ccn1
• InChI: InChI=1S/C25H24FN7/c1-16-10-18(12-29-23(16)19-5-8-27-17(2)11-19)13-30-24-22(26)25(32-15-31-24)33-9-6-21-20(14-33)4-3-7-28-21/h3-5,7-8,10-12,15H,6,9,13-14H2,1-2H3,(H,30,31,32)
• InChIKey: RXBHRCKYXBAOMK-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 79.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.51
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine?

The IUPAC name of 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine (CID 129033164) is 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine.

What is the SMILES notation for 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine?

The canonical SMILES for 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine is Cc1cc(-c2ncc(CNc3ncnc(N4CCc5ncccc5C4)c3F)cc2C)ccn1.

What is the InChIKey of 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine?

The InChIKey is RXBHRCKYXBAOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7/c1-16-10-18(12-29-23(16)19-5-8-27-17(2)11-19)13-30-24-22(26)25(32-15-31-24)33-9-6-21-20(14-33)4-3-7-28-21/h3-5,7-8,10-12,15H,6,9,13-14H2,1-2H3,(H,30,31,32).

What are the key properties of 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine?

6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine has a molecular weight of 441.51 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 129033164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).