4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one

C27H24F3N5O4 — CID 69159455

IUPAC4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one
SMILESCCNc1cc(-c2cc(C)cc(-c3cnco3)c2)nn(-c2cc(N3CC(O)CC3=O)ccc2C(F)(F)F)c1=O
InChIInChI=1S/C27H24F3N5O4/c1-3-32-22-11-21(16-6-15(2)7-17(8-16)24-12-31-14-39-24)33-35(26(22)38)23-9-18(4-5-20(23)27(28,29)30)34-13-19(36)10-25(34)37/h4-9,11-12,14,19,32,36H,3,10,13H2,1-2H3
InChIKeyCLESREOYAUXVBD-UHFFFAOYSA-N
MW539.51 g/mol
LogP4.41
Rot. Bonds6

About 4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one

4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one (PubChem CID 69159455) has the molecular formula C27H24F3N5O4 and a molecular weight of 539.51 g/mol. Its IUPAC name is 4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one
PubChem CID69159455
Molecular FormulaC27H24F3N5O4
Molecular Weight539.51 g/mol
Exact Mass539.18
IUPAC Name4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one
SMILESCCNc1cc(-c2cc(C)cc(-c3cnco3)c2)nn(-c2cc(N3CC(O)CC3=O)ccc2C(F)(F)F)c1=O
InChIInChI=1S/C27H24F3N5O4/c1-3-32-22-11-21(16-6-15(2)7-17(8-16)24-12-31-14-39-24)33-35(26(22)38)23-9-18(4-5-20(23)27(28,29)30)34-13-19(36)10-25(34)37/h4-9,11-12,14,19,32,36H,3,10,13H2,1-2H3
InChIKeyCLESREOYAUXVBD-UHFFFAOYSA-N
XLogP4.41
TPSA113.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.51
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one?
The IUPAC name of 4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one (CID 69159455) is 4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one.
What is the SMILES notation for 4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one?
The canonical SMILES for 4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one is CCNc1cc(-c2cc(C)cc(-c3cnco3)c2)nn(-c2cc(N3CC(O)CC3=O)ccc2C(F)(F)F)c1=O.
What is the InChIKey of 4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one?
The InChIKey is CLESREOYAUXVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O4/c1-3-32-22-11-21(16-6-15(2)7-17(8-16)24-12-31-14-39-24)33-35(26(22)38)23-9-18(4-5-20(23)27(28,29)30)34-13-19(36)10-25(34)37/h4-9,11-12,14,19,32,36H,3,10,13H2,1-2H3.
What are the key properties of 4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one?
4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one has a molecular weight of 539.51 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-[5-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one is sourced from PubChem (CID 69159455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).