ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one

C26H23F3N2O4 — CID 159651260

IUPACethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one
SMILESC=C.O=C1Cc2ccc(OCCCC(=O)c3cccn(Cc4cc(F)c(F)c(F)c4)c3=O)cc2N1
InChIInChI=1S/C24H19F3N2O4.C2H4/c25-18-9-14(10-19(26)23(18)27)13-29-7-1-3-17(24(29)32)21(30)4-2-8-33-16-6-5-15-11-22(31)28-20(15)12-16;1-2/h1,3,5-7,9-10,12H,2,4,8,11,13H2,(H,28,31);1-2H2
InChIKeyMRPGAVNEIIWOBJ-UHFFFAOYSA-N
MW484.47 g/mol
LogP4.65
Rot. Bonds8

About ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one

ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one (PubChem CID 159651260) has the molecular formula C26H23F3N2O4 and a molecular weight of 484.47 g/mol. Its IUPAC name is ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Nameethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one
PubChem CID159651260
Molecular FormulaC26H23F3N2O4
Molecular Weight484.47 g/mol
Exact Mass484.16
IUPAC Nameethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one
SMILESC=C.O=C1Cc2ccc(OCCCC(=O)c3cccn(Cc4cc(F)c(F)c(F)c4)c3=O)cc2N1
InChIInChI=1S/C24H19F3N2O4.C2H4/c25-18-9-14(10-19(26)23(18)27)13-29-7-1-3-17(24(29)32)21(30)4-2-8-33-16-6-5-15-11-22(31)28-20(15)12-16;1-2/h1,3,5-7,9-10,12H,2,4,8,11,13H2,(H,28,31);1-2H2
InChIKeyMRPGAVNEIIWOBJ-UHFFFAOYSA-N
XLogP4.65
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-[4-[4-(2-oxopropyl)phenoxy]butanoyl]pyridin-2-one
CID 159666432
ethanol;1-methylimidazole-2-carbaldehyde;(3E)-3-[(1-methylimidazol-2-yl)methylidene]-6-[(E)-5-oxo-5-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]pent-1-enyl]-1H-indol-2-one;6-[(E)-5-oxo-5-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]pent-1-enyl]-1,3-dihydroindol-2-one
CID 159240811
6-[4-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-4-oxobutoxy]-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one
CID 147186883
2-oxo-N-[(E,1S)-3-(2-oxo-1,3-dihydroindol-5-yl)-1-phenylprop-2-enyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 157110199
3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one
CID 160776895
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[2-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]pyridine-3-carboxamide
CID 147069175
2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 59362427
N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 59362685
4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide
CID 58443048
1-[(3,4-difluorophenyl)methyl]-3-[8-(4-methoxypyrimidin-2-yl)octanoyl]pyridin-2-one
CID 159743186
1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one
CID 158195427
N-[1-(4-hydroxyphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 59362759

Frequently Asked Questions

What is the IUPAC name of ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one?
The IUPAC name of ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one (CID 159651260) is ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one is C=C.O=C1Cc2ccc(OCCCC(=O)c3cccn(Cc4cc(F)c(F)c(F)c4)c3=O)cc2N1.
What is the InChIKey of ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one?
The InChIKey is MRPGAVNEIIWOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O4.C2H4/c25-18-9-14(10-19(26)23(18)27)13-29-7-1-3-17(24(29)32)21(30)4-2-8-33-16-6-5-15-11-22(31)28-20(15)12-16;1-2/h1,3,5-7,9-10,12H,2,4,8,11,13H2,(H,28,31);1-2H2.
What are the key properties of ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one?
ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one has a molecular weight of 484.47 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 159651260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).