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

C19H19FN4O3 — CID 152593053

IUPAC7-fluoro-4-hydroxy-12-methyl-N-[(2-methylpyrazol-3-yl)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)NCc4ccnn4C)c(=O)n1c23
InChIInChI=1S/C19H19FN4O3/c1-10-3-4-11-7-12(20)8-14-16(11)24(10)19(27)15(17(14)25)18(26)21-9-13-5-6-22-23(13)2/h5-8,10,25H,3-4,9H2,1-2H3,(H,21,26)
InChIKeyYVWPDQVKVZMIJC-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.02
Rot. Bonds3

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

7-fluoro-4-hydroxy-12-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 152593053) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-12-methyl-N-[(2-methylpyrazol-3-yl)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-12-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID152593053
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name7-fluoro-4-hydroxy-12-methyl-N-[(2-methylpyrazol-3-yl)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)NCc4ccnn4C)c(=O)n1c23
InChIInChI=1S/C19H19FN4O3/c1-10-3-4-11-7-12(20)8-14-16(11)24(10)19(27)15(17(14)25)18(26)21-9-13-5-6-22-23(13)2/h5-8,10,25H,3-4,9H2,1-2H3,(H,21,26)
InChIKeyYVWPDQVKVZMIJC-UHFFFAOYSA-N
XLogP2.02
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.02
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-12-methyl-N-[(2-methylpyrazol-3-yl)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-12-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 152593053) is 7-fluoro-4-hydroxy-12-methyl-N-[(2-methylpyrazol-3-yl)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-12-methyl-N-[(2-methylpyrazol-3-yl)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-12-methyl-N-[(2-methylpyrazol-3-yl)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)NCc4ccnn4C)c(=O)n1c23.
What is the InChIKey of 7-fluoro-4-hydroxy-12-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is YVWPDQVKVZMIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-10-3-4-11-7-12(20)8-14-16(11)24(10)19(27)15(17(14)25)18(26)21-9-13-5-6-22-23(13)2/h5-8,10,25H,3-4,9H2,1-2H3,(H,21,26).
What are the key properties of 7-fluoro-4-hydroxy-12-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
7-fluoro-4-hydroxy-12-methyl-N-[(2-methylpyrazol-3-yl)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 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-hydroxy-12-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 152593053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).