5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide

C29H28F3N7O3 — CID 135230469

About 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide

5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 135230469) has the molecular formula C29H28F3N7O3 and a molecular weight of 579.58 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide
• PubChem CID: 135230469
• Molecular Formula: C29H28F3N7O3
• Molecular Weight: 579.58 g/mol
• Exact Mass: 579.22
• IUPAC Name: 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide
• SMILES: CCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(=O)NC)c(F)c3)nn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)O1
• InChI: InChI=1S/C29H28F3N7O3/c1-4-38-15-23(26(42-38)17-10-11-20(30)21(31)12-17)35-29(41)36-27-16(2)24(37-39(27)19-8-6-5-7-9-19)18-13-22(32)25(34-14-18)28(40)33-3/h5-14,23,26H,4,15H2,1-3H3,(H,33,40)(H2,35,36,41)/t23-,26+/m1/s1
• InChIKey: RCWDOEDJOGHNMG-BVAGGSTKSA-N
• XLogP: 4.52
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.58
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide (CID 135230469) is 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide.

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

The canonical SMILES for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide is CCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(=O)NC)c(F)c3)nn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)O1.

What is the InChIKey of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide?

The InChIKey is RCWDOEDJOGHNMG-BVAGGSTKSA-N. The full InChI is InChI=1S/C29H28F3N7O3/c1-4-38-15-23(26(42-38)17-10-11-20(30)21(31)12-17)35-29(41)36-27-16(2)24(37-39(27)19-8-6-5-7-9-19)18-13-22(32)25(34-14-18)28(40)33-3/h5-14,23,26H,4,15H2,1-3H3,(H,33,40)(H2,35,36,41)/t23-,26+/m1/s1.

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

5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 579.58 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135230469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).