methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate

C24H22N2O2 — CID 164553795

IUPACmethyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ccc3c(C)c(-c4cc(C)nc(C)c4)[nH]c3c2)c1
InChIInChI=1S/C24H22N2O2/c1-14-10-20(11-15(2)25-14)23-16(3)21-9-8-18(13-22(21)26-23)17-6-5-7-19(12-17)24(27)28-4/h5-13,26H,1-4H3
InChIKeyMCQIWBPZTVZLME-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.61
Rot. Bonds3

About methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate

methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate (PubChem CID 164553795) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate
PubChem CID164553795
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Namemethyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ccc3c(C)c(-c4cc(C)nc(C)c4)[nH]c3c2)c1
InChIInChI=1S/C24H22N2O2/c1-14-10-20(11-15(2)25-14)23-16(3)21-9-8-18(13-22(21)26-23)17-6-5-7-19(12-17)24(27)28-4/h5-13,26H,1-4H3
InChIKeyMCQIWBPZTVZLME-UHFFFAOYSA-N
XLogP5.61
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate with MolForge

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Related Compounds

3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 164553956
azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 164553752
tert-butyl 6-(2,6-dimethyl-4-pyridinyl)-2-(3-methoxycarbonylphenyl)-3-methylindole-1-carboxylate
CID 164554027
methyl 3-(4-fluoro-3-methylphenyl)benzoate
CID 75488193
methyl 3-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)benzoate
CID 176705539
1-[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperazin-1-yl]ethanone;ethane
CID 164553749
methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate
CID 165172104
methyl 3-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]benzoate
CID 168552709
methyl 3-pyridin-4-ylbenzoate
CID 5152687
dimethyl 4-(3-methoxycarbonylphenyl)benzene-1,2-dicarboxylate
CID 11404679
methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate
CID 135032499
3-(2,6-dimethyl-4-pyridinyl)benzoic acid
CID 22317581

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate?
The IUPAC name of methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate (CID 164553795) is methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate.
What is the SMILES notation for methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate?
The canonical SMILES for methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate is COC(=O)c1cccc(-c2ccc3c(C)c(-c4cc(C)nc(C)c4)[nH]c3c2)c1.
What is the InChIKey of methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate?
The InChIKey is MCQIWBPZTVZLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-14-10-20(11-15(2)25-14)23-16(3)21-9-8-18(13-22(21)26-23)17-6-5-7-19(12-17)24(27)28-4/h5-13,26H,1-4H3.
What are the key properties of methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate?
methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate has a molecular weight of 370.45 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate is sourced from PubChem (CID 164553795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).