1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)-1-phenylpyrazol-5-yl]urea

C29H30FN9O4 — CID 135230752

About 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-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-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)-1-phenylpyrazol-5-yl]urea (PubChem CID 135230752) has the molecular formula C29H30FN9O4 and a molecular weight of 587.62 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-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-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-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)-1-phenylpyrazol-5-yl]urea
• PubChem CID: 135230752
• Molecular Formula: C29H30FN9O4
• Molecular Weight: 587.62 g/mol
• Exact Mass: 587.24
• IUPAC Name: 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)-1-phenylpyrazol-5-yl]urea
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)NC(=O)CN4)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C29H30FN9O4/c1-17-25(19-12-21-27(32-14-19)33-15-24(40)34-21)37-39(20-6-4-3-5-7-20)28(17)36-29(41)35-22-16-38(10-11-42-2)43-26(22)18-8-9-31-23(30)13-18/h3-9,12-14,22,26H,10-11,15-16H2,1-2H3,(H,32,33)(H,34,40)(H2,35,36,41)/t22-,26+/m1/s1
• InChIKey: SJVUTJWUWYXCQW-GJZUVCINSA-N
• XLogP: 3.27
• TPSA: 147.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.62
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	4
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-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-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-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)-1-phenylpyrazol-5-yl]urea (CID 135230752) is 1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-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-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-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-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)-1-phenylpyrazol-5-yl]urea is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)NC(=O)CN4)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-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)-1-phenylpyrazol-5-yl]urea?

The InChIKey is SJVUTJWUWYXCQW-GJZUVCINSA-N. The full InChI is InChI=1S/C29H30FN9O4/c1-17-25(19-12-21-27(32-14-19)33-15-24(40)34-21)37-39(20-6-4-3-5-7-20)28(17)36-29(41)35-22-16-38(10-11-42-2)43-26(22)18-8-9-31-23(30)13-18/h3-9,12-14,22,26H,10-11,15-16H2,1-2H3,(H,32,33)(H,34,40)(H2,35,36,41)/t22-,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-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-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-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 587.62 g/mol, XLogP of 3.27, 8 rotatable bonds, 4 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-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 135230752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).