2-[(3R)-6-(2,4-difluoro-3-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

C28H21F6N3O4 — CID 122460320

IUPAC2-[(3R)-6-(2,4-difluoro-3-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
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(-c4c(F)ccnc4F)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C28H21F6N3O4/c1-15(28(32,33)34)36(13-16-2-5-19(29)6-3-16)22(38)14-37-25(39)27(41-26(37)40)10-8-17-12-18(4-7-20(17)27)23-21(30)9-11-35-24(23)31/h2-7,9,11-12,15H,8,10,13-14H2,1H3/t15-,27+/m0/s1
InChIKeyUCWFJWJBHYSDIF-KUNJGFBQSA-N
MW577.48 g/mol
LogP5.27
Rot. Bonds6

About 2-[(3R)-6-(2,4-difluoro-3-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-[(3R)-6-(2,4-difluoro-3-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 122460320) has the molecular formula C28H21F6N3O4 and a molecular weight of 577.48 g/mol. Its IUPAC name is 2-[(3R)-6-(2,4-difluoro-3-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 Name2-[(3R)-6-(2,4-difluoro-3-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 CID122460320
Molecular FormulaC28H21F6N3O4
Molecular Weight577.48 g/mol
Exact Mass577.14
IUPAC Name2-[(3R)-6-(2,4-difluoro-3-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
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(-c4c(F)ccnc4F)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C28H21F6N3O4/c1-15(28(32,33)34)36(13-16-2-5-19(29)6-3-16)22(38)14-37-25(39)27(41-26(37)40)10-8-17-12-18(4-7-20(17)27)23-21(30)9-11-35-24(23)31/h2-7,9,11-12,15H,8,10,13-14H2,1H3/t15-,27+/m0/s1
InChIKeyUCWFJWJBHYSDIF-KUNJGFBQSA-N
XLogP5.27
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-(2,4-difluoro-3-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-[(3R)-6-(2,4-difluoro-3-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 122460320) is 2-[(3R)-6-(2,4-difluoro-3-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-[(3R)-6-(2,4-difluoro-3-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-[(3R)-6-(2,4-difluoro-3-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)O[C@@]2(CCc3cc(-c4c(F)ccnc4F)ccc32)C1=O)C(F)(F)F.
What is the InChIKey of 2-[(3R)-6-(2,4-difluoro-3-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 UCWFJWJBHYSDIF-KUNJGFBQSA-N. The full InChI is InChI=1S/C28H21F6N3O4/c1-15(28(32,33)34)36(13-16-2-5-19(29)6-3-16)22(38)14-37-25(39)27(41-26(37)40)10-8-17-12-18(4-7-20(17)27)23-21(30)9-11-35-24(23)31/h2-7,9,11-12,15H,8,10,13-14H2,1H3/t15-,27+/m0/s1.
What are the key properties of 2-[(3R)-6-(2,4-difluoro-3-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-[(3R)-6-(2,4-difluoro-3-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 577.48 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-(2,4-difluoro-3-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 122460320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).