3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C22H24FN7O2 — CID 154974748

About 3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 154974748) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 154974748
• Molecular Formula: C22H24FN7O2
• Molecular Weight: 437.48 g/mol
• Exact Mass: 437.20
• IUPAC Name: 3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: Cc1cc(-c2ccc([C@H](C)Nc3ncnc(N4C(=O)OCC4C(C)C)n3)nn2)ccc1F
• InChI: InChI=1S/C22H24FN7O2/c1-12(2)19-10-32-22(31)30(19)21-25-11-24-20(27-21)26-14(4)17-7-8-18(29-28-17)15-5-6-16(23)13(3)9-15/h5-9,11-12,14,19H,10H2,1-4H3,(H,24,25,26,27)/t14-,19?/m0/s1
• InChIKey: XMUDEFFDZKJRFA-KTQQKIMGSA-N
• XLogP: 3.93
• TPSA: 106.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.48
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of 3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 154974748) is 3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1cc(-c2ccc([C@H](C)Nc3ncnc(N4C(=O)OCC4C(C)C)n3)nn2)ccc1F.

What is the InChIKey of 3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is XMUDEFFDZKJRFA-KTQQKIMGSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-12(2)19-10-32-22(31)30(19)21-25-11-24-20(27-21)26-14(4)17-7-8-18(29-28-17)15-5-6-16(23)13(3)9-15/h5-9,11-12,14,19H,10H2,1-4H3,(H,24,25,26,27)/t14-,19?/m0/s1.

What are the key properties of 3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 437.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 154974748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).