3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one

C23H18FN5O3 — CID 58577547

IUPAC3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2nn(-c3ccc(N4CCOC4=O)cc3F)ccc2=O)n(-c2ccccc2)n1
InChIInChI=1S/C23H18FN5O3/c1-15-13-20(29(25-15)16-5-3-2-4-6-16)22-21(30)9-10-28(26-22)19-8-7-17(14-18(19)24)27-11-12-32-23(27)31/h2-10,13-14H,11-12H2,1H3
InChIKeyILDOLMSWMOPSDL-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.49
Rot. Bonds4

About 3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one

3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 58577547) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is 3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID58577547
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC Name3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2nn(-c3ccc(N4CCOC4=O)cc3F)ccc2=O)n(-c2ccccc2)n1
InChIInChI=1S/C23H18FN5O3/c1-15-13-20(29(25-15)16-5-3-2-4-6-16)22-21(30)9-10-28(26-22)19-8-7-17(14-18(19)24)27-11-12-32-23(27)31/h2-10,13-14H,11-12H2,1H3
InChIKeyILDOLMSWMOPSDL-UHFFFAOYSA-N
XLogP3.49
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one (CID 58577547) is 3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one is Cc1cc(-c2nn(-c3ccc(N4CCOC4=O)cc3F)ccc2=O)n(-c2ccccc2)n1.
What is the InChIKey of 3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ILDOLMSWMOPSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c1-15-13-20(29(25-15)16-5-3-2-4-6-16)22-21(30)9-10-28(26-22)19-8-7-17(14-18(19)24)27-11-12-32-23(27)31/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 431.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58577547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).