23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione

C25H28FN3O4 — CID 174263444

IUPAC23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione
SMILESCC1CC2(COCC(=O)N2)C2Cc3cccc(c3F)-c3ccccc3OCCN(C)C(=O)N12
InChIInChI=1S/C25H28FN3O4/c1-16-13-25(15-32-14-22(30)27-25)21-12-17-6-5-8-19(23(17)26)18-7-3-4-9-20(18)33-11-10-28(2)24(31)29(16)21/h3-9,16,21H,10-15H2,1-2H3,(H,27,30)
InChIKeyOSHPQEUUNSPAQQ-UHFFFAOYSA-N
MW453.51 g/mol
LogP2.83
Rot. Bonds

About 23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione

23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione (PubChem CID 174263444) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is 23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione.

Molecular Properties

Compound Name23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione
PubChem CID174263444
Molecular FormulaC25H28FN3O4
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC Name23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione
SMILESCC1CC2(COCC(=O)N2)C2Cc3cccc(c3F)-c3ccccc3OCCN(C)C(=O)N12
InChIInChI=1S/C25H28FN3O4/c1-16-13-25(15-32-14-22(30)27-25)21-12-17-6-5-8-19(23(17)26)18-7-3-4-9-20(18)33-11-10-28(2)24(31)29(16)21/h3-9,16,21H,10-15H2,1-2H3,(H,27,30)
InChIKeyOSHPQEUUNSPAQQ-UHFFFAOYSA-N
XLogP2.83
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione with MolForge

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Related Compounds

(15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione
CID 174263068
15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one
CID 170199748
1-fluoro-N-(23-fluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)methanesulfonamide
CID 170199965
16-(ethylsulfanylamino)-23-fluoro-11-methylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-12-one
CID 169174032
N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide
CID 169174029
12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione
CID 174262169
(17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one
CID 169173845
N-[(16R,17S)-15,15-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]-1-fluoromethanesulfonamide
CID 169173859
N-[(16R,17S)-15,15-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]-1,1-difluoromethanesulfonamide
CID 169296454
2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide
CID 176836377
1-fluoro-N-(14,14,22-trifluoro-11-oxo-8-oxa-12-azatetracyclo[16.3.1.02,7.012,16]docosa-1(21),2,4,6,18(22),19-hexaen-15-yl)methanesulfonamide
CID 176836338
1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide
CID 170200009

Frequently Asked Questions

What is the IUPAC name of 23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione?
The IUPAC name of 23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione (CID 174263444) is 23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione.
What is the SMILES notation for 23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione?
The canonical SMILES for 23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione is CC1CC2(COCC(=O)N2)C2Cc3cccc(c3F)-c3ccccc3OCCN(C)C(=O)N12.
What is the InChIKey of 23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione?
The InChIKey is OSHPQEUUNSPAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4/c1-16-13-25(15-32-14-22(30)27-25)21-12-17-6-5-8-19(23(17)26)18-7-3-4-9-20(18)33-11-10-28(2)24(31)29(16)21/h3-9,16,21H,10-15H2,1-2H3,(H,27,30).
What are the key properties of 23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione?
23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione has a molecular weight of 453.51 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione is sourced from PubChem (CID 174263444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).