1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

C29H31FN8O4 — CID 135230723

About 1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea (PubChem CID 135230723) has the molecular formula C29H31FN8O4 and a molecular weight of 574.62 g/mol. Its IUPAC name is 1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea.

Molecular Properties

• Compound Name: 1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea
• PubChem CID: 135230723
• Molecular Formula: C29H31FN8O4
• Molecular Weight: 574.62 g/mol
• Exact Mass: 574.25
• IUPAC Name: 1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(OC4CC4)nc3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C29H31FN8O4/c1-18-25(20-15-32-29(33-16-20)41-22-8-9-22)36-38(21-6-4-3-5-7-21)27(18)35-28(39)34-23-17-37(12-13-40-2)42-26(23)19-10-11-31-24(30)14-19/h3-7,10-11,14-16,22-23,26H,8-9,12-13,17H2,1-2H3,(H2,34,35,39)/t23-,26+/m1/s1
• InChIKey: VIQNIOZYHZZBMX-BVAGGSTKSA-N
• XLogP: 3.84
• TPSA: 128.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.62
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea?

The IUPAC name of 1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea (CID 135230723) is 1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea.

What is the SMILES notation for 1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea?

The canonical SMILES for 1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(OC4CC4)nc3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.

What is the InChIKey of 1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea?

The InChIKey is VIQNIOZYHZZBMX-BVAGGSTKSA-N. The full InChI is InChI=1S/C29H31FN8O4/c1-18-25(20-15-32-29(33-16-20)41-22-8-9-22)36-38(21-6-4-3-5-7-21)27(18)35-28(39)34-23-17-37(12-13-40-2)42-26(23)19-10-11-31-24(30)14-19/h3-7,10-11,14-16,22-23,26H,8-9,12-13,17H2,1-2H3,(H2,34,35,39)/t23-,26+/m1/s1.

What are the key properties of 1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea?

1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea has a molecular weight of 574.62 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea is sourced from PubChem (CID 135230723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).