7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C19H19FN4O3 — CID 155552388

IUPAC7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCC1CCc2cc(F)cc3c(O)c(C(=O)NCCn4ccnc4)c(=O)n1c23
InChIInChI=1S/C19H19FN4O3/c1-11-2-3-12-8-13(20)9-14-16(12)24(11)19(27)15(17(14)25)18(26)22-5-7-23-6-4-21-10-23/h4,6,8-11,25H,2-3,5,7H2,1H3,(H,22,26)
InChIKeyLBFJELGBDBDUMT-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.98
Rot. Bonds4

About 7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 155552388) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID155552388
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCC1CCc2cc(F)cc3c(O)c(C(=O)NCCn4ccnc4)c(=O)n1c23
InChIInChI=1S/C19H19FN4O3/c1-11-2-3-12-8-13(20)9-14-16(12)24(11)19(27)15(17(14)25)18(26)22-5-7-23-6-4-21-10-23/h4,6,8-11,25H,2-3,5,7H2,1H3,(H,22,26)
InChIKeyLBFJELGBDBDUMT-UHFFFAOYSA-N
XLogP1.98
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of 7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 155552388) is 7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for 7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for 7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is CC1CCc2cc(F)cc3c(O)c(C(=O)NCCn4ccnc4)c(=O)n1c23.
What is the InChIKey of 7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is LBFJELGBDBDUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-11-2-3-12-8-13(20)9-14-16(12)24(11)19(27)15(17(14)25)18(26)22-5-7-23-6-4-21-10-23/h4,6,8-11,25H,2-3,5,7H2,1H3,(H,22,26).
What are the key properties of 7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-hydroxy-N-(2-imidazol-1-ylethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 155552388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).