1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea

C29H29FN8O4 — CID 135230489

About 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea

1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea (PubChem CID 135230489) has the molecular formula C29H29FN8O4 and a molecular weight of 572.60 g/mol. Its IUPAC name is 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

• Compound Name: 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea
• PubChem CID: 135230489
• Molecular Formula: C29H29FN8O4
• Molecular Weight: 572.60 g/mol
• Exact Mass: 572.23
• IUPAC Name: 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4oc(C)nc4c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C29H29FN8O4/c1-17-25(20-13-22-28(32-15-20)41-18(2)33-22)36-38(21-7-5-4-6-8-21)27(17)35-29(39)34-23-16-37(11-12-40-3)42-26(23)19-9-10-31-24(30)14-19/h4-10,13-15,23,26H,11-12,16H2,1-3H3,(H2,34,35,39)/t23-,26+/m1/s1
• InChIKey: SSUNCNOHNPSMMW-BVAGGSTKSA-N
• XLogP: 4.35
• TPSA: 132.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.60
LogP ≤ 5	4.35
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-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea?

The IUPAC name of 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea (CID 135230489) is 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea.

What is the SMILES notation for 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea?

The canonical SMILES for 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4oc(C)nc4c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.

What is the InChIKey of 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea?

The InChIKey is SSUNCNOHNPSMMW-BVAGGSTKSA-N. The full InChI is InChI=1S/C29H29FN8O4/c1-17-25(20-13-22-28(32-15-20)41-18(2)33-22)36-38(21-7-5-4-6-8-21)27(17)35-29(39)34-23-16-37(11-12-40-3)42-26(23)19-9-10-31-24(30)14-19/h4-10,13-15,23,26H,11-12,16H2,1-3H3,(H2,34,35,39)/t23-,26+/m1/s1.

What are the key properties of 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea?

1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 572.60 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 135230489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).