3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C23H23N3O — CID 58442061

IUPAC3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12
InChIInChI=1S/C23H23N3O/c1-16-5-7-17(8-6-16)9-11-20-12-10-18(23(26-20)27-2)14-19-15-25-22-21(19)4-3-13-24-22/h3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25)
InChIKeyYORAQOYFUAFCAD-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.65
Rot. Bonds6

About 3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58442061) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58442061
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12
InChIInChI=1S/C23H23N3O/c1-16-5-7-17(8-6-16)9-11-20-12-10-18(23(26-20)27-2)14-19-15-25-22-21(19)4-3-13-24-22/h3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25)
InChIKeyYORAQOYFUAFCAD-UHFFFAOYSA-N
XLogP4.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine 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-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58442061) is 3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is COc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12.
What is the InChIKey of 3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YORAQOYFUAFCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16-5-7-17(8-6-16)9-11-20-12-10-18(23(26-20)27-2)14-19-15-25-22-21(19)4-3-13-24-22/h3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25).
What are the key properties of 3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 357.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58442061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).