6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide

C30H32FN7O5 — CID 146691075

About 6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide

6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide (PubChem CID 146691075) has the molecular formula C30H32FN7O5 and a molecular weight of 589.63 g/mol. Its IUPAC name is 6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide
• PubChem CID: 146691075
• Molecular Formula: C30H32FN7O5
• Molecular Weight: 589.63 g/mol
• Exact Mass: 589.24
• IUPAC Name: 6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide
• SMILES: COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cc(C(N)=O)c(=O)n(C)n3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C30H32FN7O5/c1-18-25(15-22(39)13-20-17-37(11-12-42-3)43-28(20)19-9-10-33-26(31)14-19)38(21-7-5-4-6-8-21)35-27(18)24-16-23(29(32)40)30(41)36(2)34-24/h4-10,14,16,20,28H,11-13,15,17H2,1-3H3,(H2,32,40)/t20-,28+/m1/s1
• InChIKey: QILPQKLSEODIEH-NGOKVRLYSA-N
• XLogP: 2.33
• TPSA: 147.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.63
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide?

The IUPAC name of 6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide (CID 146691075) is 6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide.

What is the SMILES notation for 6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide?

The canonical SMILES for 6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cc(C(N)=O)c(=O)n(C)n3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.

What is the InChIKey of 6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide?

The InChIKey is QILPQKLSEODIEH-NGOKVRLYSA-N. The full InChI is InChI=1S/C30H32FN7O5/c1-18-25(15-22(39)13-20-17-37(11-12-42-3)43-28(20)19-9-10-33-26(31)14-19)38(21-7-5-4-6-8-21)35-27(18)24-16-23(29(32)40)30(41)36(2)34-24/h4-10,14,16,20,28H,11-13,15,17H2,1-3H3,(H2,32,40)/t20-,28+/m1/s1.

What are the key properties of 6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide?

6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide has a molecular weight of 589.63 g/mol, XLogP of 2.33, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 146691075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).