(4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione

C24H24FN5O7 — CID 90284593

IUPAC(4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
SMILESC[C@@H]1O[C@H](C)C(F)N2c3cc4onc(N5C(=O)OC[C@@H]5C5CC5)c4cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]12
InChIInChI=1S/C24H24FN5O7/c1-9-17-24(20(31)26-22(33)27-21(24)32)7-12-5-13-16(6-14(12)29(17)18(25)10(2)36-9)37-28-19(13)30-15(11-3-4-11)8-35-23(30)34/h5-6,9-11,15,17-18H,3-4,7-8H2,1-2H3,(H2,26,27,31,32,33)/t9-,10+,15+,17+,18?/m0/s1
InChIKeyIBWPJTCQXRZRIP-XEMHNNJESA-N
MW513.48 g/mol
LogP1.75
Rot. Bonds2

About (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione

(4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione (PubChem CID 90284593) has the molecular formula C24H24FN5O7 and a molecular weight of 513.48 g/mol. Its IUPAC name is (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione.

Molecular Properties

Compound Name(4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
PubChem CID90284593
Molecular FormulaC24H24FN5O7
Molecular Weight513.48 g/mol
Exact Mass513.17
IUPAC Name(4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
SMILESC[C@@H]1O[C@H](C)C(F)N2c3cc4onc(N5C(=O)OC[C@@H]5C5CC5)c4cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]12
InChIInChI=1S/C24H24FN5O7/c1-9-17-24(20(31)26-22(33)27-21(24)32)7-12-5-13-16(6-14(12)29(17)18(25)10(2)36-9)37-28-19(13)30-15(11-3-4-11)8-35-23(30)34/h5-6,9-11,15,17-18H,3-4,7-8H2,1-2H3,(H2,26,27,31,32,33)/t9-,10+,15+,17+,18?/m0/s1
InChIKeyIBWPJTCQXRZRIP-XEMHNNJESA-N
XLogP1.75
TPSA143.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?
The IUPAC name of (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione (CID 90284593) is (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione.
What is the SMILES notation for (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?
The canonical SMILES for (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione is C[C@@H]1O[C@H](C)C(F)N2c3cc4onc(N5C(=O)OC[C@@H]5C5CC5)c4cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]12.
What is the InChIKey of (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?
The InChIKey is IBWPJTCQXRZRIP-XEMHNNJESA-N. The full InChI is InChI=1S/C24H24FN5O7/c1-9-17-24(20(31)26-22(33)27-21(24)32)7-12-5-13-16(6-14(12)29(17)18(25)10(2)36-9)37-28-19(13)30-15(11-3-4-11)8-35-23(30)34/h5-6,9-11,15,17-18H,3-4,7-8H2,1-2H3,(H2,26,27,31,32,33)/t9-,10+,15+,17+,18?/m0/s1.
What are the key properties of (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?
(4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione has a molecular weight of 513.48 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-3'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione is sourced from PubChem (CID 90284593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).