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

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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).