1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole

C23H22N2O3 — CID 162667717

IUPAC1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole
SMILESCOc1cc(-c2cccc(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O3/c1-25-14-17(16-8-5-6-11-20(16)25)19-10-7-9-18(24-19)15-12-21(26-2)23(28-4)22(13-15)27-3/h5-14H,1-4H3
InChIKeyMOSSOGFSAZYLDC-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.93
Rot. Bonds5

About 1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole

1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole (PubChem CID 162667717) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole.

Molecular Properties

Compound Name1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole
PubChem CID162667717
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole
SMILESCOc1cc(-c2cccc(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O3/c1-25-14-17(16-8-5-6-11-20(16)25)19-10-7-9-18(24-19)15-12-21(26-2)23(28-4)22(13-15)27-3/h5-14H,1-4H3
InChIKeyMOSSOGFSAZYLDC-UHFFFAOYSA-N
XLogP4.93
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole?
The IUPAC name of 1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole (CID 162667717) is 1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole.
What is the SMILES notation for 1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole?
The canonical SMILES for 1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole is COc1cc(-c2cccc(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole?
The InChIKey is MOSSOGFSAZYLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-25-14-17(16-8-5-6-11-20(16)25)19-10-7-9-18(24-19)15-12-21(26-2)23(28-4)22(13-15)27-3/h5-14H,1-4H3.
What are the key properties of 1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole?
1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole has a molecular weight of 374.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]indole is sourced from PubChem (CID 162667717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).