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

C24H21FN2O3 — CID 67150992

IUPACmethyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate
SMILESCOC(=O)Cn1c(C)c(-c2ccc(=O)n(Cc3ccccc3)c2)c2cc(F)ccc21
InChIInChI=1S/C24H21FN2O3/c1-16-24(20-12-19(25)9-10-21(20)27(16)15-23(29)30-2)18-8-11-22(28)26(14-18)13-17-6-4-3-5-7-17/h3-12,14H,13,15H2,1-2H3
InChIKeyMONNWUNFBXJTRA-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.14
Rot. Bonds5

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

methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate (PubChem CID 67150992) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate
PubChem CID67150992
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Namemethyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate
SMILESCOC(=O)Cn1c(C)c(-c2ccc(=O)n(Cc3ccccc3)c2)c2cc(F)ccc21
InChIInChI=1S/C24H21FN2O3/c1-16-24(20-12-19(25)9-10-21(20)27(16)15-23(29)30-2)18-8-11-22(28)26(14-18)13-17-6-4-3-5-7-17/h3-12,14H,13,15H2,1-2H3
InChIKeyMONNWUNFBXJTRA-UHFFFAOYSA-N
XLogP4.14
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate (CID 67150992) is methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate is COC(=O)Cn1c(C)c(-c2ccc(=O)n(Cc3ccccc3)c2)c2cc(F)ccc21.
What is the InChIKey of methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate?
The InChIKey is MONNWUNFBXJTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-16-24(20-12-19(25)9-10-21(20)27(16)15-23(29)30-2)18-8-11-22(28)26(14-18)13-17-6-4-3-5-7-17/h3-12,14H,13,15H2,1-2H3.
What are the key properties of methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate?
methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate has a molecular weight of 404.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-fluoro-2-methylindol-1-yl]acetate is sourced from PubChem (CID 67150992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).