2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

C29H23F6N3O4 — CID 134327473

About 2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 134327473) has the molecular formula C29H23F6N3O4 and a molecular weight of 591.51 g/mol. Its IUPAC name is 2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
• PubChem CID: 134327473
• Molecular Formula: C29H23F6N3O4
• Molecular Weight: 591.51 g/mol
• Exact Mass: 591.16
• IUPAC Name: 2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
• SMILES: C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3ccc(-c4cc(C(F)F)ccn4)cc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C29H23F6N3O4/c1-16(29(33,34)35)37(14-17-2-6-21(30)7-3-17)24(39)15-38-26(40)28(42-27(38)41)10-8-18-4-5-19(12-22(18)28)23-13-20(25(31)32)9-11-36-23/h2-7,9,11-13,16,25H,8,10,14-15H2,1H3/t16-,28?/m0/s1
• InChIKey: MLWPNGBRQCQTOJ-WCZHWJSASA-N
• XLogP: 5.93
• TPSA: 79.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.51
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

The IUPAC name of 2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 134327473) is 2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

What is the SMILES notation for 2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

The canonical SMILES for 2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3ccc(-c4cc(C(F)F)ccn4)cc32)C1=O)C(F)(F)F.

What is the InChIKey of 2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

The InChIKey is MLWPNGBRQCQTOJ-WCZHWJSASA-N. The full InChI is InChI=1S/C29H23F6N3O4/c1-16(29(33,34)35)37(14-17-2-6-21(30)7-3-17)24(39)15-38-26(40)28(42-27(38)41)10-8-18-4-5-19(12-22(18)28)23-13-20(25(31)32)9-11-36-23/h2-7,9,11-13,16,25H,8,10,14-15H2,1H3/t16-,28?/m0/s1.

What are the key properties of 2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 591.51 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-(difluoromethyl)-2-pyridinyl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 134327473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).