(4'R,6'S,7'S)-13'-[6-(dimethylamino)pyrazin-2-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

C24H24FN7O5 — CID 67431681

IUPAC(4'R,6'S,7'S)-13'-[6-(dimethylamino)pyrazin-2-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(-c5cncc(N(C)C)n5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C24H24FN7O5/c1-10-9-32-18-12(6-24(20(32)11(2)36-10)21(33)28-23(35)29-22(24)34)5-13-17(30-37-19(13)16(18)25)14-7-26-8-15(27-14)31(3)4/h5,7-8,10-11,20H,6,9H2,1-4H3,(H2,28,29,33,34,35)/t10-,11+,20-/m1/s1
InChIKeyRXSQMOGBJUWVDK-QZXWKGOOSA-N
MW509.50 g/mol
LogP1.38
Rot. Bonds2

About (4'R,6'S,7'S)-13'-[6-(dimethylamino)pyrazin-2-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'-[6-(dimethylamino)pyrazin-2-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 67431681) has the molecular formula C24H24FN7O5 and a molecular weight of 509.50 g/mol. Its IUPAC name is (4'R,6'S,7'S)-13'-[6-(dimethylamino)pyrazin-2-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'-[6-(dimethylamino)pyrazin-2-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 CID67431681
Molecular FormulaC24H24FN7O5
Molecular Weight509.50 g/mol
Exact Mass509.18
IUPAC Name(4'R,6'S,7'S)-13'-[6-(dimethylamino)pyrazin-2-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(-c5cncc(N(C)C)n5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C24H24FN7O5/c1-10-9-32-18-12(6-24(20(32)11(2)36-10)21(33)28-23(35)29-22(24)34)5-13-17(30-37-19(13)16(18)25)14-7-26-8-15(27-14)31(3)4/h5,7-8,10-11,20H,6,9H2,1-4H3,(H2,28,29,33,34,35)/t10-,11+,20-/m1/s1
InChIKeyRXSQMOGBJUWVDK-QZXWKGOOSA-N
XLogP1.38
TPSA142.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.50
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (4'R,6'S,7'S)-13'-[6-(dimethylamino)pyrazin-2-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'-[6-(dimethylamino)pyrazin-2-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'-[6-(dimethylamino)pyrazin-2-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 67431681) is (4'R,6'S,7'S)-13'-[6-(dimethylamino)pyrazin-2-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'-[6-(dimethylamino)pyrazin-2-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'-[6-(dimethylamino)pyrazin-2-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(-c5cncc(N(C)C)n5)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'-[6-(dimethylamino)pyrazin-2-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 RXSQMOGBJUWVDK-QZXWKGOOSA-N. The full InChI is InChI=1S/C24H24FN7O5/c1-10-9-32-18-12(6-24(20(32)11(2)36-10)21(33)28-23(35)29-22(24)34)5-13-17(30-37-19(13)16(18)25)14-7-26-8-15(27-14)31(3)4/h5,7-8,10-11,20H,6,9H2,1-4H3,(H2,28,29,33,34,35)/t10-,11+,20-/m1/s1.
What are the key properties of (4'R,6'S,7'S)-13'-[6-(dimethylamino)pyrazin-2-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'-[6-(dimethylamino)pyrazin-2-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 509.50 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4'R,6'S,7'S)-13'-[6-(dimethylamino)pyrazin-2-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 67431681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).