4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C19H16FN3O3 — CID 175583129

IUPAC4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESC[C@H](c1cc(O)cc(F)c1)c1cc(=O)n(-c2ccccc2)nc1C(N)=O
InChIInChI=1S/C19H16FN3O3/c1-11(12-7-13(20)9-15(24)8-12)16-10-17(25)23(22-18(16)19(21)26)14-5-3-2-4-6-14/h2-11,24H,1H3,(H2,21,26)/t11-/m1/s1
InChIKeyDAFIPOCHDUWMAA-LLVKDONJSA-N
MW353.35 g/mol
LogP2.33
Rot. Bonds4

About 4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide

4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 175583129) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID175583129
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESC[C@H](c1cc(O)cc(F)c1)c1cc(=O)n(-c2ccccc2)nc1C(N)=O
InChIInChI=1S/C19H16FN3O3/c1-11(12-7-13(20)9-15(24)8-12)16-10-17(25)23(22-18(16)19(21)26)14-5-3-2-4-6-14/h2-11,24H,1H3,(H2,21,26)/t11-/m1/s1
InChIKeyDAFIPOCHDUWMAA-LLVKDONJSA-N
XLogP2.33
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 175583129) is 4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide is C[C@H](c1cc(O)cc(F)c1)c1cc(=O)n(-c2ccccc2)nc1C(N)=O.
What is the InChIKey of 4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is DAFIPOCHDUWMAA-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-11(12-7-13(20)9-15(24)8-12)16-10-17(25)23(22-18(16)19(21)26)14-5-3-2-4-6-14/h2-11,24H,1H3,(H2,21,26)/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(3-fluoro-5-hydroxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 175583129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).