methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate

C31H32FN9O5 — CID 135226373

About methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate

methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 135226373) has the molecular formula C31H32FN9O5 and a molecular weight of 629.65 g/mol. Its IUPAC name is methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate
• PubChem CID: 135226373
• Molecular Formula: C31H32FN9O5
• Molecular Weight: 629.65 g/mol
• Exact Mass: 629.25
• IUPAC Name: methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)c(C(=O)OC)nn4C)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C31H32FN9O5/c1-18-25(20-14-22-26(30(42)45-4)37-39(2)29(22)34-16-20)38-41(21-8-6-5-7-9-21)28(18)36-31(43)35-23-17-40(12-13-44-3)46-27(23)19-10-11-33-24(32)15-19/h5-11,14-16,23,27H,12-13,17H2,1-4H3,(H2,35,36,43)/t23-,27+/m1/s1
• InChIKey: ZDQQAMFOAUSRGB-KCWPFWIISA-N
• XLogP: 3.58
• TPSA: 150.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.65
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate?

The IUPAC name of methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate (CID 135226373) is methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate.

What is the SMILES notation for methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate?

The canonical SMILES for methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)c(C(=O)OC)nn4C)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.

What is the InChIKey of methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate?

The InChIKey is ZDQQAMFOAUSRGB-KCWPFWIISA-N. The full InChI is InChI=1S/C31H32FN9O5/c1-18-25(20-14-22-26(30(42)45-4)37-39(2)29(22)34-16-20)38-41(21-8-6-5-7-9-21)28(18)36-31(43)35-23-17-40(12-13-44-3)46-27(23)19-10-11-33-24(32)15-19/h5-11,14-16,23,27H,12-13,17H2,1-4H3,(H2,35,36,43)/t23-,27+/m1/s1.

What are the key properties of methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate?

methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 629.65 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 135226373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).