3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid

C24H28N4O3 — CID 66982440

IUPAC3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1c(=O)n([C@@H](C)c2c[nH]c3cccc(C)c23)c2ccc(C)nc21
InChIInChI=1S/C24H28N4O3/c1-5-7-17(12-21(29)30)28-23-20(11-10-15(3)26-23)27(24(28)31)16(4)18-13-25-19-9-6-8-14(2)22(18)19/h6,8-11,13,16-17,25H,5,7,12H2,1-4H3,(H,29,30)/t16-,17?/m0/s1
InChIKeyXEAKNIYZPXTUFP-BHWOMJMDSA-N
MW420.51 g/mol
LogP4.72
Rot. Bonds7

About 3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid

3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid (PubChem CID 66982440) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid.

Molecular Properties

Compound Name3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid
PubChem CID66982440
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1c(=O)n([C@@H](C)c2c[nH]c3cccc(C)c23)c2ccc(C)nc21
InChIInChI=1S/C24H28N4O3/c1-5-7-17(12-21(29)30)28-23-20(11-10-15(3)26-23)27(24(28)31)16(4)18-13-25-19-9-6-8-14(2)22(18)19/h6,8-11,13,16-17,25H,5,7,12H2,1-4H3,(H,29,30)/t16-,17?/m0/s1
InChIKeyXEAKNIYZPXTUFP-BHWOMJMDSA-N
XLogP4.72
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid?
The IUPAC name of 3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid (CID 66982440) is 3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid.
What is the SMILES notation for 3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid?
The canonical SMILES for 3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid is CCCC(CC(=O)O)n1c(=O)n([C@@H](C)c2c[nH]c3cccc(C)c23)c2ccc(C)nc21.
What is the InChIKey of 3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid?
The InChIKey is XEAKNIYZPXTUFP-BHWOMJMDSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-5-7-17(12-21(29)30)28-23-20(11-10-15(3)26-23)27(24(28)31)16(4)18-13-25-19-9-6-8-14(2)22(18)19/h6,8-11,13,16-17,25H,5,7,12H2,1-4H3,(H,29,30)/t16-,17?/m0/s1.
What are the key properties of 3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid?
3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid has a molecular weight of 420.51 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-1-[(1S)-1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]hexanoic acid is sourced from PubChem (CID 66982440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).