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

C30H31F2N7O4 — CID 135230498

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

4-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide (PubChem CID 135230498) has the molecular formula C30H31F2N7O4 and a molecular weight of 591.62 g/mol. Its IUPAC name is 4-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 135230498
• Molecular Formula: C30H31F2N7O4
• Molecular Weight: 591.62 g/mol
• Exact Mass: 591.24
• IUPAC Name: 4-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)ccn1
• InChI: InChI=1S/C30H31F2N7O4/c1-18-26(19-11-12-34-24(16-19)29(40)33-2)37-39(21-7-5-4-6-8-21)28(18)36-30(41)35-25-17-38(13-14-42-3)43-27(25)20-9-10-22(31)23(32)15-20/h4-12,15-16,25,27H,13-14,17H2,1-3H3,(H,33,40)(H2,35,36,41)/t25-,27+/m1/s1
• InChIKey: MHBKNGSCZAMBDN-VPUSJEBWSA-N
• XLogP: 4.01
• TPSA: 122.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.62
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide (CID 135230498) is 4-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide.

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

The canonical SMILES for 4-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)ccn1.

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

The InChIKey is MHBKNGSCZAMBDN-VPUSJEBWSA-N. The full InChI is InChI=1S/C30H31F2N7O4/c1-18-26(19-11-12-34-24(16-19)29(40)33-2)37-39(21-7-5-4-6-8-21)28(18)36-30(41)35-25-17-38(13-14-42-3)43-27(25)20-9-10-22(31)23(32)15-20/h4-12,15-16,25,27H,13-14,17H2,1-3H3,(H,33,40)(H2,35,36,41)/t25-,27+/m1/s1.

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

4-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 591.62 g/mol, XLogP of 4.01, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135230498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).