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

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

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Launch Full Analysis

Related Compounds

methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate
CID 67150812
tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-chloro-2-methylindol-1-yl]acetate
CID 67150867
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-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid
CID 52919156
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-[3-[[1-[(2,3-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate
CID 67150927
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-(4-methyl-2-oxoquinolin-1-yl)acetate
CID 39767914
2-[3-[[1-[(2,3-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid
CID 52919031
methyl 2-[3-[[2-(benzenesulfonyl)-4-chlorophenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate
CID 67043779
methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
CID 154831058
2-(3-benzylsulfanyl-5-fluoro-2-methylindol-1-yl)acetic acid
CID 69457532

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).