1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C28H25FN8O5 — CID 118334437

About 1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334437) has the molecular formula C28H25FN8O5 and a molecular weight of 572.56 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 118334437
• Molecular Formula: C28H25FN8O5
• Molecular Weight: 572.56 g/mol
• Exact Mass: 572.19
• IUPAC Name: 1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2ccccc2N2CCOC2=O)c2ccc(-c3ccnnc3)cc12
• InChI: InChI=1S/C28H25FN8O5/c29-18-12-23(27(40)33-20-3-1-2-4-22(20)35-9-10-42-28(35)41)36(14-18)24(38)15-37-21-6-5-16(17-7-8-31-32-13-17)11-19(21)25(34-37)26(30)39/h1-8,11,13,18,23H,9-10,12,14-15H2,(H2,30,39)(H,33,40)
• InChIKey: KQRUIHGEEHIGBM-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 165.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.56
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The IUPAC name of 1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334437) is 1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

What is the SMILES notation for 1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The canonical SMILES for 1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2ccccc2N2CCOC2=O)c2ccc(-c3ccnnc3)cc12.

What is the InChIKey of 1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The InChIKey is KQRUIHGEEHIGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN8O5/c29-18-12-23(27(40)33-20-3-1-2-4-22(20)35-9-10-42-28(35)41)36(14-18)24(38)15-37-21-6-5-16(17-7-8-31-32-13-17)11-19(21)25(34-37)26(30)39/h1-8,11,13,18,23H,9-10,12,14-15H2,(H2,30,39)(H,33,40).

What are the key properties of 1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 572.56 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).