17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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

C24H23FN6O5 — CID 77291222

IUPAC17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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
SMILESCC1CN2c3c(cc4c(NCc5ccncc5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)C2C(C)O1
InChIInChI=1S/C24H23FN6O5/c1-11-10-31-17-14(8-24(19(31)12(2)35-11)21(32)28-23(34)29-22(24)33)7-15-18(16(17)25)36-30-20(15)27-9-13-3-5-26-6-4-13/h3-7,11-12,19H,8-10H2,1-2H3,(H,27,30)(H2,28,29,32,33,34)
InChIKeyXLBALXSMODEREO-UHFFFAOYSA-N
MW494.48 g/mol
LogP1.86
Rot. Bonds3

About 17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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

17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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 77291222) has the molecular formula C24H23FN6O5 and a molecular weight of 494.48 g/mol. Its IUPAC name is 17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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 Name17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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 CID77291222
Molecular FormulaC24H23FN6O5
Molecular Weight494.48 g/mol
Exact Mass494.17
IUPAC Name17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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
SMILESCC1CN2c3c(cc4c(NCc5ccncc5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)C2C(C)O1
InChIInChI=1S/C24H23FN6O5/c1-11-10-31-17-14(8-24(19(31)12(2)35-11)21(32)28-23(34)29-22(24)33)7-15-18(16(17)25)36-30-20(15)27-9-13-3-5-26-6-4-13/h3-7,11-12,19H,8-10H2,1-2H3,(H,27,30)(H2,28,29,32,33,34)
InChIKeyXLBALXSMODEREO-UHFFFAOYSA-N
XLogP1.86
TPSA138.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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 17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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 17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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 77291222) is 17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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 17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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 17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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 CC1CN2c3c(cc4c(NCc5ccncc5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)C2C(C)O1.
What is the InChIKey of 17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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 XLBALXSMODEREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O5/c1-11-10-31-17-14(8-24(19(31)12(2)35-11)21(32)28-23(34)29-22(24)33)7-15-18(16(17)25)36-30-20(15)27-9-13-3-5-26-6-4-13/h3-7,11-12,19H,8-10H2,1-2H3,(H,27,30)(H2,28,29,32,33,34).
What are the key properties of 17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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?
17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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 494.48 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 17'-fluoro-4',6'-dimethyl-13'-(pyridin-4-ylmethylamino)spiro[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 77291222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).