N-cyclopropyl-3-fluoro-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide

C31H32F2N8O4 — CID 135230393

About N-cyclopropyl-3-fluoro-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide

N-cyclopropyl-3-fluoro-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 135230393) has the molecular formula C31H32F2N8O4 and a molecular weight of 618.65 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-fluoro-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide
• PubChem CID: 135230393
• Molecular Formula: C31H32F2N8O4
• Molecular Weight: 618.65 g/mol
• Exact Mass: 618.25
• IUPAC Name: N-cyclopropyl-3-fluoro-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(=O)NC4CC4)c(F)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C31H32F2N8O4/c1-18-26(20-14-23(32)27(35-16-20)30(42)36-21-8-9-21)39-41(22-6-4-3-5-7-22)29(18)38-31(43)37-24-17-40(12-13-44-2)45-28(24)19-10-11-34-25(33)15-19/h3-7,10-11,14-16,21,24,28H,8-9,12-13,17H2,1-2H3,(H,36,42)(H2,37,38,43)/t24-,28+/m1/s1
• InChIKey: VZWPECSWYPCXFP-YWEHKCAJSA-N
• XLogP: 3.93
• TPSA: 135.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.65
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-3-fluoro-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide (CID 135230393) is N-cyclopropyl-3-fluoro-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide.

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

The canonical SMILES for N-cyclopropyl-3-fluoro-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(=O)NC4CC4)c(F)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.

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

The InChIKey is VZWPECSWYPCXFP-YWEHKCAJSA-N. The full InChI is InChI=1S/C31H32F2N8O4/c1-18-26(20-14-23(32)27(35-16-20)30(42)36-21-8-9-21)39-41(22-6-4-3-5-7-22)29(18)38-31(43)37-24-17-40(12-13-44-2)45-28(24)19-10-11-34-25(33)15-19/h3-7,10-11,14-16,21,24,28H,8-9,12-13,17H2,1-2H3,(H,36,42)(H2,37,38,43)/t24-,28+/m1/s1.

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

N-cyclopropyl-3-fluoro-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 618.65 g/mol, XLogP of 3.93, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-fluoro-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 135230393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).