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

C25H20FN3O6S — CID 170346574

About 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

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 (PubChem CID 170346574) has the molecular formula C25H20FN3O6S and a molecular weight of 509.52 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 170346574
• Molecular Formula: C25H20FN3O6S
• Molecular Weight: 509.52 g/mol
• Exact Mass: 509.11
• IUPAC Name: 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
• SMILES: Cc1c(F)cc2nc3c(c4c2c1SCC4N1CC(O)CC1=O)Cn1c-3cc2c(c1=O)COC(=O)C2O
• InChI: InChI=1S/C25H20FN3O6S/c1-9-14(26)4-15-20-19(17(8-36-23(9)20)28-5-10(30)2-18(28)31)12-6-29-16(21(12)27-15)3-11-13(24(29)33)7-35-25(34)22(11)32/h3-4,10,17,22,30,32H,2,5-8H2,1H3
• InChIKey: ZXUROPMYJTZHTD-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 121.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 1
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.52
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1c(F)cc2nc3c(c4c2c1SCC4N1CC(O)CC1=O)Cn1c-3cc2c(c1=O)COC(=O)C2O.

What is the InChIKey of 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?

The InChIKey is ZXUROPMYJTZHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O6S/c1-9-14(26)4-15-20-19(17(8-36-23(9)20)28-5-10(30)2-18(28)31)12-6-29-16(21(12)27-15)3-11-13(24(29)33)7-35-25(34)22(11)32/h3-4,10,17,22,30,32H,2,5-8H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 509.52 g/mol, XLogP of 1.70, 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-(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 is sourced from PubChem (CID 170346574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).