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

C19H17FN4O3 — CID 150975891

IUPAC7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridazin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCC1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccnnc4)c(=O)n1c23
InChIInChI=1S/C19H17FN4O3/c1-10-2-3-12-6-13(20)7-14-16(12)24(10)19(27)15(17(14)25)18(26)21-8-11-4-5-22-23-9-11/h4-7,9-10,25H,2-3,8H2,1H3,(H,21,26)
InChIKeyLPBXRWMHVOVMSY-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.07
Rot. Bonds3

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

7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridazin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 150975891) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridazin-4-ylmethyl)-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-2-oxo-N-(pyridazin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID150975891
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridazin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCC1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccnnc4)c(=O)n1c23
InChIInChI=1S/C19H17FN4O3/c1-10-2-3-12-6-13(20)7-14-16(12)24(10)19(27)15(17(14)25)18(26)21-8-11-4-5-22-23-9-11/h4-7,9-10,25H,2-3,8H2,1H3,(H,21,26)
InChIKeyLPBXRWMHVOVMSY-UHFFFAOYSA-N
XLogP2.07
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.07
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-2-oxo-N-(pyridazin-4-ylmethyl)-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-2-oxo-N-(pyridazin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 150975891) is 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridazin-4-ylmethyl)-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-2-oxo-N-(pyridazin-4-ylmethyl)-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-2-oxo-N-(pyridazin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is CC1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccnnc4)c(=O)n1c23.
What is the InChIKey of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridazin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is LPBXRWMHVOVMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-10-2-3-12-6-13(20)7-14-16(12)24(10)19(27)15(17(14)25)18(26)21-8-11-4-5-22-23-9-11/h4-7,9-10,25H,2-3,8H2,1H3,(H,21,26).
What are the key properties of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridazin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridazin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 2.07, 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-2-oxo-N-(pyridazin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 150975891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).