6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

C22H18N2O3 — CID 50903301

IUPAC6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C22H18N2O3/c1-27-16-10-11-17-18(12-15-8-5-9-19(23-15)22(25)26)21(24-20(17)13-16)14-6-3-2-4-7-14/h2-11,13,24H,12H2,1H3,(H,25,26)
InChIKeyPCPIVCZCWSXIEW-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.53
Rot. Bonds5

About 6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 50903301) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID50903301
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C22H18N2O3/c1-27-16-10-11-17-18(12-15-8-5-9-19(23-15)22(25)26)21(24-20(17)13-16)14-6-3-2-4-7-14/h2-11,13,24H,12H2,1H3,(H,25,26)
InChIKeyPCPIVCZCWSXIEW-UHFFFAOYSA-N
XLogP4.53
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic 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 6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (CID 50903301) is 6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is PCPIVCZCWSXIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-27-16-10-11-17-18(12-15-8-5-9-19(23-15)22(25)26)21(24-20(17)13-16)14-6-3-2-4-7-14/h2-11,13,24H,12H2,1H3,(H,25,26).
What are the key properties of 6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 50903301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).