3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid

C29H27F2N7O7S — CID 135327328

About 3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid

3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 135327328) has the molecular formula C29H27F2N7O7S and a molecular weight of 655.64 g/mol. Its IUPAC name is 3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
• PubChem CID: 135327328
• Molecular Formula: C29H27F2N7O7S
• Molecular Weight: 655.64 g/mol
• Exact Mass: 655.17
• IUPAC Name: 3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
• SMILES: Cc1ccc2c(NS(=O)(=O)N3CCOC3=O)c(F)ccc2c1Oc1ncccc1-c1ccnc(NC2CC(F)CN(C(=O)O)C2)n1
• InChI: InChI=1S/C29H27F2N7O7S/c1-16-4-5-19-20(6-7-22(31)24(19)36-46(42,43)38-11-12-44-29(38)41)25(16)45-26-21(3-2-9-32-26)23-8-10-33-27(35-23)34-18-13-17(30)14-37(15-18)28(39)40/h2-10,17-18,36H,11-15H2,1H3,(H,39,40)(H,33,34,35)
• InChIKey: GQIBYCCRUBKDFF-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 176.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	655.64
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid?

The IUPAC name of 3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid (CID 135327328) is 3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid.

What is the SMILES notation for 3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid?

The canonical SMILES for 3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid is Cc1ccc2c(NS(=O)(=O)N3CCOC3=O)c(F)ccc2c1Oc1ncccc1-c1ccnc(NC2CC(F)CN(C(=O)O)C2)n1.

What is the InChIKey of 3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid?

The InChIKey is GQIBYCCRUBKDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N7O7S/c1-16-4-5-19-20(6-7-22(31)24(19)36-46(42,43)38-11-12-44-29(38)41)25(16)45-26-21(3-2-9-32-26)23-8-10-33-27(35-23)34-18-13-17(30)14-37(15-18)28(39)40/h2-10,17-18,36H,11-15H2,1H3,(H,39,40)(H,33,34,35).

What are the key properties of 3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid?

3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 655.64 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[[4-[2-[6-fluoro-2-methyl-5-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 135327328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).