3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

C26H25BrFN5O3 — CID 86343150

About 3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (PubChem CID 86343150) has the molecular formula C26H25BrFN5O3 and a molecular weight of 554.42 g/mol. Its IUPAC name is 3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

Molecular Properties

• Compound Name: 3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
• PubChem CID: 86343150
• Molecular Formula: C26H25BrFN5O3
• Molecular Weight: 554.42 g/mol
• Exact Mass: 553.11
• IUPAC Name: 3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
• SMILES: Cc1cnc(-c2nc(C(C)(C)O)ccc2C)cc1-n1c(C)cc(OCc2ncncc2F)c(Br)c1=O
• InChI: InChI=1S/C26H25BrFN5O3/c1-14-6-7-22(26(4,5)35)32-24(14)18-9-20(15(2)10-30-18)33-16(3)8-21(23(27)25(33)34)36-12-19-17(28)11-29-13-31-19/h6-11,13,35H,12H2,1-5H3
• InChIKey: DHLVPWCTMMVETH-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 103.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.42
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?

The IUPAC name of 3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (CID 86343150) is 3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

What is the SMILES notation for 3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?

The canonical SMILES for 3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is Cc1cnc(-c2nc(C(C)(C)O)ccc2C)cc1-n1c(C)cc(OCc2ncncc2F)c(Br)c1=O.

What is the InChIKey of 3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?

The InChIKey is DHLVPWCTMMVETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrFN5O3/c1-14-6-7-22(26(4,5)35)32-24(14)18-9-20(15(2)10-30-18)33-16(3)8-21(23(27)25(33)34)36-12-19-17(28)11-29-13-31-19/h6-11,13,35H,12H2,1-5H3.

What are the key properties of 3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?

3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one has a molecular weight of 554.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is sourced from PubChem (CID 86343150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).