18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione

C24H20FN3O5S — CID 170346513

IUPAC18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
SMILESCc1c(F)cc2nc3c(c4c2c1SCC4N1CC(O)C1)Cn1c-3cc2c(c1=O)COC(=O)C2O
InChIInChI=1S/C24H20FN3O5S/c1-9-14(25)3-15-19-18(17(8-34-22(9)19)27-4-10(29)5-27)12-6-28-16(20(12)26-15)2-11-13(23(28)31)7-33-24(32)21(11)30/h2-3,10,17,21,29-30H,4-8H2,1H3
InChIKeyMBPKEUSDZIZELX-UHFFFAOYSA-N
MW481.51 g/mol
LogP1.79
Rot. Bonds1

About 18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione

18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione (PubChem CID 170346513) has the molecular formula C24H20FN3O5S and a molecular weight of 481.51 g/mol. Its IUPAC name is 18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione.

Molecular Properties

Compound Name18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
PubChem CID170346513
Molecular FormulaC24H20FN3O5S
Molecular Weight481.51 g/mol
Exact Mass481.11
IUPAC Name18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
SMILESCc1c(F)cc2nc3c(c4c2c1SCC4N1CC(O)C1)Cn1c-3cc2c(c1=O)COC(=O)C2O
InChIInChI=1S/C24H20FN3O5S/c1-9-14(25)3-15-19-18(17(8-34-22(9)19)27-4-10(29)5-27)12-6-28-16(20(12)26-15)2-11-13(23(28)31)7-33-24(32)21(11)30/h2-3,10,17,21,29-30H,4-8H2,1H3
InChIKeyMBPKEUSDZIZELX-UHFFFAOYSA-N
XLogP1.79
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione with MolForge

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Related Compounds

18-fluoro-10-hydroxy-23-(4-hydroxy-2-oxopyrrolidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 170346574
ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.6.1.02,14.04,13.06,11.020,23]tricosa-1,6(11),12,14,16,18,20(23)-heptaene-5,9-dione
CID 166490463
22-amino-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.6.1.02,14.04,13.06,11.020,23]tricosa-1,6(11),12,14,16,18,20(23)-heptaene-5,9-dione;ethane
CID 166490430
10-ethyl-6-fluoro-19-hydroxy-7,8-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 156842132
ethane;(23S)-18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 176995303
18-fluoro-10-hydroxy-23-(hydroxymethyl)-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 170751537
ethane;(23R)-18-fluoro-10-hydroxy-19-methyl-23-(2-oxopyrrolidin-1-yl)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 170752005
8-amino-10-ethyl-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 156842079
ethane;ethene;(10S)-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanamine
CID 170724281
ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;formaldehyde;methoxymethane
CID 170975407
18-fluoro-10,23-dihydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 166490499
ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyacetamide
CID 164599847

Frequently Asked Questions

What is the IUPAC name of 18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione?
The IUPAC name of 18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione (CID 170346513) is 18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione.
What is the SMILES notation for 18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione?
The canonical SMILES for 18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione is Cc1c(F)cc2nc3c(c4c2c1SCC4N1CC(O)C1)Cn1c-3cc2c(c1=O)COC(=O)C2O.
What is the InChIKey of 18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione?
The InChIKey is MBPKEUSDZIZELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O5S/c1-9-14(25)3-15-19-18(17(8-34-22(9)19)27-4-10(29)5-27)12-6-28-16(20(12)26-15)2-11-13(23(28)31)7-33-24(32)21(11)30/h2-3,10,17,21,29-30H,4-8H2,1H3.
What are the key properties of 18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione?
18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione has a molecular weight of 481.51 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 18-fluoro-10-hydroxy-23-(3-hydroxyazetidin-1-yl)-19-methyl-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione is sourced from PubChem (CID 170346513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).