3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid

C25H27N5O3 — CID 58497375

IUPAC3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2ccc(C#N)nc21
InChIInChI=1S/C25H27N5O3/c1-5-6-19(11-22(31)32)30-24-20(8-7-18(12-26)27-24)29(25(30)33)14-17-13-28(4)21-10-15(2)9-16(3)23(17)21/h7-10,13,19H,5-6,11,14H2,1-4H3,(H,31,32)
InChIKeyFQHJTPQCABVQHM-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.04
Rot. Bonds7

About 3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid

3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid (PubChem CID 58497375) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid.

Molecular Properties

Compound Name3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid
PubChem CID58497375
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2ccc(C#N)nc21
InChIInChI=1S/C25H27N5O3/c1-5-6-19(11-22(31)32)30-24-20(8-7-18(12-26)27-24)29(25(30)33)14-17-13-28(4)21-10-15(2)9-16(3)23(17)21/h7-10,13,19H,5-6,11,14H2,1-4H3,(H,31,32)
InChIKeyFQHJTPQCABVQHM-UHFFFAOYSA-N
XLogP4.04
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[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-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid?
The IUPAC name of 3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid (CID 58497375) is 3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid.
What is the SMILES notation for 3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid?
The canonical SMILES for 3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid is CCCC(CC(=O)O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2ccc(C#N)nc21.
What is the InChIKey of 3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid?
The InChIKey is FQHJTPQCABVQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-5-6-19(11-22(31)32)30-24-20(8-7-18(12-26)27-24)29(25(30)33)14-17-13-28(4)21-10-15(2)9-16(3)23(17)21/h7-10,13,19H,5-6,11,14H2,1-4H3,(H,31,32).
What are the key properties of 3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid?
3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid has a molecular weight of 445.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]hexanoic acid is sourced from PubChem (CID 58497375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).