(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide

C22H24FN5O6 — CID 67432239

IUPAC(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide
SMILESCC(C)NC(=O)c1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31
InChIInChI=1S/C22H24FN5O6/c1-8(2)24-18(29)14-12-5-11-6-22(19(30)25-21(32)26-20(22)31)17-10(4)33-9(3)7-28(17)15(11)13(23)16(12)34-27-14/h5,8-10,17H,6-7H2,1-4H3,(H,24,29)(H2,25,26,30,31,32)/t9-,10+,17-/m1/s1
InChIKeyUSIMQOIUWHIQOV-GPHJXTMHSA-N
MW473.46 g/mol
LogP1.00
Rot. Bonds2

About (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide

(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide (PubChem CID 67432239) has the molecular formula C22H24FN5O6 and a molecular weight of 473.46 g/mol. Its IUPAC name is (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide.

Molecular Properties

Compound Name(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide
PubChem CID67432239
Molecular FormulaC22H24FN5O6
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC Name(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide
SMILESCC(C)NC(=O)c1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31
InChIInChI=1S/C22H24FN5O6/c1-8(2)24-18(29)14-12-5-11-6-22(19(30)25-21(32)26-20(22)31)17-10(4)33-9(3)7-28(17)15(11)13(23)16(12)34-27-14/h5,8-10,17H,6-7H2,1-4H3,(H,24,29)(H2,25,26,30,31,32)/t9-,10+,17-/m1/s1
InChIKeyUSIMQOIUWHIQOV-GPHJXTMHSA-N
XLogP1.00
TPSA142.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide?
The IUPAC name of (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide (CID 67432239) is (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide.
What is the SMILES notation for (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide?
The canonical SMILES for (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide is CC(C)NC(=O)c1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31.
What is the InChIKey of (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide?
The InChIKey is USIMQOIUWHIQOV-GPHJXTMHSA-N. The full InChI is InChI=1S/C22H24FN5O6/c1-8(2)24-18(29)14-12-5-11-6-22(19(30)25-21(32)26-20(22)31)17-10(4)33-9(3)7-28(17)15(11)13(23)16(12)34-27-14/h5,8-10,17H,6-7H2,1-4H3,(H,24,29)(H2,25,26,30,31,32)/t9-,10+,17-/m1/s1.
What are the key properties of (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide?
(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxo-N-propan-2-ylspiro[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]-13'-carboxamide is sourced from PubChem (CID 67432239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).