1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone

C27H25FN4O2 — CID 160749379

About 1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone

1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone (PubChem CID 160749379) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone
• PubChem CID: 160749379
• Molecular Formula: C27H25FN4O2
• Molecular Weight: 456.52 g/mol
• Exact Mass: 456.20
• IUPAC Name: 1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone
• SMILES: O=C(Cc1cc2cc(-c3cncc(CN4CCC(O)CC4)c3)ncc2cn1)c1ccc(F)cc1
• InChI: InChI=1S/C27H25FN4O2/c28-23-3-1-19(2-4-23)27(34)12-24-10-20-11-26(31-16-22(20)15-30-24)21-9-18(13-29-14-21)17-32-7-5-25(33)6-8-32/h1-4,9-11,13-16,25,33H,5-8,12,17H2
• InChIKey: RWPPMXQWWOHWMU-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 79.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.52
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone?

The IUPAC name of 1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone (CID 160749379) is 1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone.

What is the SMILES notation for 1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone?

The canonical SMILES for 1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone is O=C(Cc1cc2cc(-c3cncc(CN4CCC(O)CC4)c3)ncc2cn1)c1ccc(F)cc1.

What is the InChIKey of 1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone?

The InChIKey is RWPPMXQWWOHWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c28-23-3-1-19(2-4-23)27(34)12-24-10-20-11-26(31-16-22(20)15-30-24)21-9-18(13-29-14-21)17-32-7-5-25(33)6-8-32/h1-4,9-11,13-16,25,33H,5-8,12,17H2.

What are the key properties of 1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone?

1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 456.52 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 160749379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).