(4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-17'-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 90283805

IUPAC(4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-17'-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]1CN2c3c(cc4c(N5C(=O)OC[C@@H]5C5CC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C24H24FN5O7/c1-9-7-29-16-12(6-24(18(29)10(2)36-9)20(31)26-22(33)27-21(24)32)5-13-17(15(16)25)37-28-19(13)30-14(11-3-4-11)8-35-23(30)34/h5,9-11,14,18H,3-4,6-8H2,1-2H3,(H2,26,27,31,32,33)/t9-,10+,14-,18-/m1/s1
InChIKeySZMSWDRXNNSSFK-JMZRSRGHSA-N
MW513.48 g/mol
LogP1.59
Rot. Bonds2

About (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-17'-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]-17'-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 90283805) 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]-17'-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]-17'-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 CID90283805
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]-17'-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]1CN2c3c(cc4c(N5C(=O)OC[C@@H]5C5CC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C24H24FN5O7/c1-9-7-29-16-12(6-24(18(29)10(2)36-9)20(31)26-22(33)27-21(24)32)5-13-17(15(16)25)37-28-19(13)30-14(11-3-4-11)8-35-23(30)34/h5,9-11,14,18H,3-4,6-8H2,1-2H3,(H2,26,27,31,32,33)/t9-,10+,14-,18-/m1/s1
InChIKeySZMSWDRXNNSSFK-JMZRSRGHSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-17'-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-17'-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]-17'-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 90283805) is (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-17'-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]-17'-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]-17'-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]1CN2c3c(cc4c(N5C(=O)OC[C@@H]5C5CC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.
What is the InChIKey of (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-17'-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 SZMSWDRXNNSSFK-JMZRSRGHSA-N. The full InChI is InChI=1S/C24H24FN5O7/c1-9-7-29-16-12(6-24(18(29)10(2)36-9)20(31)26-22(33)27-21(24)32)5-13-17(15(16)25)37-28-19(13)30-14(11-3-4-11)8-35-23(30)34/h5,9-11,14,18H,3-4,6-8H2,1-2H3,(H2,26,27,31,32,33)/t9-,10+,14-,18-/m1/s1.
What are the key properties of (4'R,6'S,7'S)-13'-[(4S)-4-cyclopropyl-2-oxo-1,3-oxazolidin-3-yl]-17'-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]-17'-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 1.59, 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]-17'-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 90283805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).