methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate

C25H22F2N2O3 — CID 67150812

IUPACmethyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate
SMILESCOC(=O)Cn1c(C)c(Cc2ccc(=O)n(Cc3ccc(F)cc3)c2)c2cc(F)ccc21
InChIInChI=1S/C25H22F2N2O3/c1-16-21(22-12-20(27)8-9-23(22)29(16)15-25(31)32-2)11-18-5-10-24(30)28(14-18)13-17-3-6-19(26)7-4-17/h3-10,12,14H,11,13,15H2,1-2H3
InChIKeyFIYKFFLXCGFQIK-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.20
Rot. Bonds6

About methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate

methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate (PubChem CID 67150812) has the molecular formula C25H22F2N2O3 and a molecular weight of 436.46 g/mol. Its IUPAC name is methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate
PubChem CID67150812
Molecular FormulaC25H22F2N2O3
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Namemethyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate
SMILESCOC(=O)Cn1c(C)c(Cc2ccc(=O)n(Cc3ccc(F)cc3)c2)c2cc(F)ccc21
InChIInChI=1S/C25H22F2N2O3/c1-16-21(22-12-20(27)8-9-23(22)29(16)15-25(31)32-2)11-18-5-10-24(30)28(14-18)13-17-3-6-19(26)7-4-17/h3-10,12,14H,11,13,15H2,1-2H3
InChIKeyFIYKFFLXCGFQIK-UHFFFAOYSA-N
XLogP4.20
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate
CID 67150992
2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid
CID 52919156
methyl 2-[3-[[1-[(2,3-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate
CID 67150927
2-[3-[[1-[(2,3-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid
CID 52919031
methyl 2-[5-fluoro-3-[[1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-6-oxopyridazin-3-yl]methyl]-2-methylindol-1-yl]acetate
CID 67151068
methyl 2-[5-fluoro-2-methyl-3-[[6-oxo-1-(pyridin-2-ylmethyl)pyridazin-3-yl]methyl]indol-1-yl]acetate
CID 67150745
methyl 2-[5-fluoro-2-methyl-3-[[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]methyl]indol-1-yl]acetate
CID 67150862
2-[5-chloro-3-[[1-[(2,3-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid
CID 52919414
ethyl 2-[3-(2,3-dihydro-1,2-benzothiazol-5-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate
CID 145445888
1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate
CID 158308092
methyl 2-[3-[[2-(benzenesulfonyl)-4-chlorophenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate
CID 67043779
methyl 2-[5-fluoro-2-methyl-3-[(3-pyridin-2-ylsulfonylthiophen-2-yl)methyl]indol-1-yl]acetate
CID 67025766

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate?
The IUPAC name of methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate (CID 67150812) is methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate is COC(=O)Cn1c(C)c(Cc2ccc(=O)n(Cc3ccc(F)cc3)c2)c2cc(F)ccc21.
What is the InChIKey of methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate?
The InChIKey is FIYKFFLXCGFQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O3/c1-16-21(22-12-20(27)8-9-23(22)29(16)15-25(31)32-2)11-18-5-10-24(30)28(14-18)13-17-3-6-19(26)7-4-17/h3-10,12,14H,11,13,15H2,1-2H3.
What are the key properties of methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate?
methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate has a molecular weight of 436.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate is sourced from PubChem (CID 67150812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).