15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid

C23H12FN3O4 — CID 58744198

IUPAC15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid
SMILESO=C(O)c1cn2c3c(c(-n4ccnc4)c(F)cc3c1=O)Oc1ccc3ccccc3c1-2
InChIInChI=1S/C23H12FN3O4/c24-16-9-14-19-22(20(16)26-8-7-25-11-26)31-17-6-5-12-3-1-2-4-13(12)18(17)27(19)10-15(21(14)28)23(29)30/h1-11H,(H,29,30)
InChIKeyFJAVQJRGMPBYCV-UHFFFAOYSA-N
MW413.36 g/mol
LogP4.27
Rot. Bonds2

About 15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid

15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid (PubChem CID 58744198) has the molecular formula C23H12FN3O4 and a molecular weight of 413.36 g/mol. Its IUPAC name is 15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid.

Molecular Properties

Compound Name15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid
PubChem CID58744198
Molecular FormulaC23H12FN3O4
Molecular Weight413.36 g/mol
Exact Mass413.08
IUPAC Name15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid
SMILESO=C(O)c1cn2c3c(c(-n4ccnc4)c(F)cc3c1=O)Oc1ccc3ccccc3c1-2
InChIInChI=1S/C23H12FN3O4/c24-16-9-14-19-22(20(16)26-8-7-25-11-26)31-17-6-5-12-3-1-2-4-13(12)18(17)27(19)10-15(21(14)28)23(29)30/h1-11H,(H,29,30)
InChIKeyFJAVQJRGMPBYCV-UHFFFAOYSA-N
XLogP4.27
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid?
The IUPAC name of 15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid (CID 58744198) is 15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid.
What is the SMILES notation for 15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid?
The canonical SMILES for 15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid is O=C(O)c1cn2c3c(c(-n4ccnc4)c(F)cc3c1=O)Oc1ccc3ccccc3c1-2.
What is the InChIKey of 15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid?
The InChIKey is FJAVQJRGMPBYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12FN3O4/c24-16-9-14-19-22(20(16)26-8-7-25-11-26)31-17-6-5-12-3-1-2-4-13(12)18(17)27(19)10-15(21(14)28)23(29)30/h1-11H,(H,29,30).
What are the key properties of 15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid?
15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid has a molecular weight of 413.36 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-fluoro-14-imidazol-1-yl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid is sourced from PubChem (CID 58744198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).