[3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol

C23H22N2O4 — CID 162644698

IUPAC[3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol
SMILESCOc1cc(-c2cccc(-c3cn(CO)c4ccccc34)n2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O4/c1-27-21-11-15(12-22(28-2)23(21)29-3)18-8-6-9-19(24-18)17-13-25(14-26)20-10-5-4-7-16(17)20/h4-13,26H,14H2,1-3H3
InChIKeyCQVSTHRMEAGNDL-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.35
Rot. Bonds6

About [3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol

[3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol (PubChem CID 162644698) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol.

Molecular Properties

Compound Name[3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol
PubChem CID162644698
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol
SMILESCOc1cc(-c2cccc(-c3cn(CO)c4ccccc34)n2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O4/c1-27-21-11-15(12-22(28-2)23(21)29-3)18-8-6-9-19(24-18)17-13-25(14-26)20-10-5-4-7-16(17)20/h4-13,26H,14H2,1-3H3
InChIKeyCQVSTHRMEAGNDL-UHFFFAOYSA-N
XLogP4.35
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol?
The IUPAC name of [3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol (CID 162644698) is [3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol.
What is the SMILES notation for [3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol?
The canonical SMILES for [3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol is COc1cc(-c2cccc(-c3cn(CO)c4ccccc34)n2)cc(OC)c1OC.
What is the InChIKey of [3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol?
The InChIKey is CQVSTHRMEAGNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-21-11-15(12-22(28-2)23(21)29-3)18-8-6-9-19(24-18)17-13-25(14-26)20-10-5-4-7-16(17)20/h4-13,26H,14H2,1-3H3.
What are the key properties of [3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol?
[3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol has a molecular weight of 390.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indol-1-yl]methanol is sourced from PubChem (CID 162644698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).