1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone

C23H25FN8O — CID 139367423

About 1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 139367423) has the molecular formula C23H25FN8O and a molecular weight of 448.51 g/mol. Its IUPAC name is 1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone
• PubChem CID: 139367423
• Molecular Formula: C23H25FN8O
• Molecular Weight: 448.51 g/mol
• Exact Mass: 448.21
• IUPAC Name: 1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(F)cc(N3CCc4nc(-c5ncccn5)ncc4C3C)n2)CC1
• InChI: InChI=1S/C23H25FN8O/c1-15-18-14-27-23(22-25-5-3-6-26-22)28-19(18)4-7-32(15)21-13-17(24)12-20(29-21)31-10-8-30(9-11-31)16(2)33/h3,5-6,12-15H,4,7-11H2,1-2H3
• InChIKey: ORPZVDWWZDMUDP-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 91.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.51
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 139367423) is 1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone.

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

The canonical SMILES for 1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(F)cc(N3CCc4nc(-c5ncccn5)ncc4C3C)n2)CC1.

What is the InChIKey of 1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone?

The InChIKey is ORPZVDWWZDMUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN8O/c1-15-18-14-27-23(22-25-5-3-6-26-22)28-19(18)4-7-32(15)21-13-17(24)12-20(29-21)31-10-8-30(9-11-31)16(2)33/h3,5-6,12-15H,4,7-11H2,1-2H3.

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

1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 448.51 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 139367423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).