(4'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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

C24H24F3N5O6 — CID 67432751

About (4'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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 67432751) has the molecular formula C24H24F3N5O6 and a molecular weight of 535.48 g/mol. Its IUPAC name is (4'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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: 67432751
• Molecular Formula: C24H24F3N5O6
• Molecular Weight: 535.48 g/mol
• Exact Mass: 535.17
• IUPAC Name: (4'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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
• SMILES: C[C@H]1CN2c3c(cc4c(C(=O)N5CCC(F)(F)CC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]2[C@@H](C)O1
• InChI: InChI=1S/C24H24F3N5O6/c1-10-9-32-16-12(8-24(18(32)11(2)37-10)20(34)28-22(36)29-21(24)35)7-13-15(30-38-17(13)14(16)25)19(33)31-5-3-23(26,27)4-6-31/h7,10-11,18H,3-6,8-9H2,1-2H3,(H2,28,29,34,35,36)/t10-,11+,18-/m0/s1
• InChIKey: JGARCTLIJHZANI-PISHQANHSA-N
• XLogP: 1.73
• TPSA: 134.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.48
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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 67432751) is (4'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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(C(=O)N5CCC(F)(F)CC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]2[C@@H](C)O1.

What is the InChIKey of (4'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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 JGARCTLIJHZANI-PISHQANHSA-N. The full InChI is InChI=1S/C24H24F3N5O6/c1-10-9-32-16-12(8-24(18(32)11(2)37-10)20(34)28-22(36)29-21(24)35)7-13-15(30-38-17(13)14(16)25)19(33)31-5-3-23(26,27)4-6-31/h7,10-11,18H,3-6,8-9H2,1-2H3,(H2,28,29,34,35,36)/t10-,11+,18-/m0/s1.

What are the key properties of (4'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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 535.48 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4'S,6'R,7'R)-13'-(4,4-difluoropiperidine-1-carbonyl)-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 67432751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).