(13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione

C28H32FNO3 — CID 174263296

IUPAC(13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione
SMILESC[C@H]1C[C@H]2C(=O)CCCCc3ccccc3-c3cccc(c3F)CC2C2(COCC(=O)N2)C1
InChIInChI=1S/C28H32FNO3/c1-18-13-23-24(28(15-18)17-33-16-26(32)30-28)14-20-9-6-11-22(27(20)29)21-10-4-2-7-19(21)8-3-5-12-25(23)31/h2,4,6-7,9-11,18,23-24H,3,5,8,12-17H2,1H3,(H,30,32)/t18-,23+,24?,28?/m0/s1
InChIKeyHXGDTHAVCTXKBM-GXLLLINTSA-N
MW449.57 g/mol
LogP4.88
Rot. Bonds

About (13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione

(13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione (PubChem CID 174263296) has the molecular formula C28H32FNO3 and a molecular weight of 449.57 g/mol. Its IUPAC name is (13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione.

Molecular Properties

Compound Name(13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione
PubChem CID174263296
Molecular FormulaC28H32FNO3
Molecular Weight449.57 g/mol
Exact Mass449.24
IUPAC Name(13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione
SMILESC[C@H]1C[C@H]2C(=O)CCCCc3ccccc3-c3cccc(c3F)CC2C2(COCC(=O)N2)C1
InChIInChI=1S/C28H32FNO3/c1-18-13-23-24(28(15-18)17-33-16-26(32)30-28)14-20-9-6-11-22(27(20)29)21-10-4-2-7-19(21)8-3-5-12-25(23)31/h2,4,6-7,9-11,18,23-24H,3,5,8,12-17H2,1H3,(H,30,32)/t18-,23+,24?,28?/m0/s1
InChIKeyHXGDTHAVCTXKBM-GXLLLINTSA-N
XLogP4.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione 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 (13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione?
The IUPAC name of (13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione (CID 174263296) is (13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione.
What is the SMILES notation for (13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione?
The canonical SMILES for (13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione is C[C@H]1C[C@H]2C(=O)CCCCc3ccccc3-c3cccc(c3F)CC2C2(COCC(=O)N2)C1.
What is the InChIKey of (13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione?
The InChIKey is HXGDTHAVCTXKBM-GXLLLINTSA-N. The full InChI is InChI=1S/C28H32FNO3/c1-18-13-23-24(28(15-18)17-33-16-26(32)30-28)14-20-9-6-11-22(27(20)29)21-10-4-2-7-19(21)8-3-5-12-25(23)31/h2,4,6-7,9-11,18,23-24H,3,5,8,12-17H2,1H3,(H,30,32)/t18-,23+,24?,28?/m0/s1.
What are the key properties of (13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione?
(13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione has a molecular weight of 449.57 g/mol, XLogP of 4.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13'R,15'S)-24'-fluoro-15'-methylspiro[morpholine-5,17'-tetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene]-3,12'-dione is sourced from PubChem (CID 174263296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).