methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate

C24H22N2O3 — CID 67685173

IUPACmethyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cn2c(-c3ccccc3C)cc3cc(OC)ccc32)n1
InChIInChI=1S/C24H22N2O3/c1-16-7-4-5-9-20(16)23-14-17-13-19(28-2)11-12-22(17)26(23)15-18-8-6-10-21(25-18)24(27)29-3/h4-14H,15H2,1-3H3
InChIKeyWQVIMSHFRAPVQY-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.86
Rot. Bonds5

About methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate

methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate (PubChem CID 67685173) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate
PubChem CID67685173
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namemethyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cn2c(-c3ccccc3C)cc3cc(OC)ccc32)n1
InChIInChI=1S/C24H22N2O3/c1-16-7-4-5-9-20(16)23-14-17-13-19(28-2)11-12-22(17)26(23)15-18-8-6-10-21(25-18)24(27)29-3/h4-14H,15H2,1-3H3
InChIKeyWQVIMSHFRAPVQY-UHFFFAOYSA-N
XLogP4.86
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate
CID 67684990
methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate
CID 67685235
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
CID 67685081
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 140631612
ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate
CID 67684745
5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid
CID 67685145
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole
CID 162070992
methyl 3-[(5-methoxy-2-propan-2-ylindol-1-yl)methyl]benzoate
CID 67684489
5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
CID 175931837

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate (CID 67685173) is methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cn2c(-c3ccccc3C)cc3cc(OC)ccc32)n1.
What is the InChIKey of methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate?
The InChIKey is WQVIMSHFRAPVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-7-4-5-9-20(16)23-14-17-13-19(28-2)11-12-22(17)26(23)15-18-8-6-10-21(25-18)24(27)29-3/h4-14H,15H2,1-3H3.
What are the key properties of methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 67685173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).