5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole

C27H22N2OS — CID 53301428

IUPAC5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole
SMILESCOc1ccc(-c2ccc3c(c2)c(Sc2ccccc2)c(-c2ccccc2)n3C)cn1
InChIInChI=1S/C27H22N2OS/c1-29-24-15-13-20(21-14-16-25(30-2)28-18-21)17-23(24)27(31-22-11-7-4-8-12-22)26(29)19-9-5-3-6-10-19/h3-18H,1-2H3
InChIKeySQFOWQOWZTVYDI-UHFFFAOYSA-N
MW422.55 g/mol
LogP7.07
Rot. Bonds5

About 5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole

5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole (PubChem CID 53301428) has the molecular formula C27H22N2OS and a molecular weight of 422.55 g/mol. Its IUPAC name is 5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole.

Molecular Properties

Compound Name5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole
PubChem CID53301428
Molecular FormulaC27H22N2OS
Molecular Weight422.55 g/mol
Exact Mass422.15
IUPAC Name5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole
SMILESCOc1ccc(-c2ccc3c(c2)c(Sc2ccccc2)c(-c2ccccc2)n3C)cn1
InChIInChI=1S/C27H22N2OS/c1-29-24-15-13-20(21-14-16-25(30-2)28-18-21)17-23(24)27(31-22-11-7-4-8-12-22)26(29)19-9-5-3-6-10-19/h3-18H,1-2H3
InChIKeySQFOWQOWZTVYDI-UHFFFAOYSA-N
XLogP7.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole?
The IUPAC name of 5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole (CID 53301428) is 5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole.
What is the SMILES notation for 5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole?
The canonical SMILES for 5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole is COc1ccc(-c2ccc3c(c2)c(Sc2ccccc2)c(-c2ccccc2)n3C)cn1.
What is the InChIKey of 5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole?
The InChIKey is SQFOWQOWZTVYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2OS/c1-29-24-15-13-20(21-14-16-25(30-2)28-18-21)17-23(24)27(31-22-11-7-4-8-12-22)26(29)19-9-5-3-6-10-19/h3-18H,1-2H3.
What are the key properties of 5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole?
5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole has a molecular weight of 422.55 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3-pyridinyl)-1-methyl-2-phenyl-3-phenylsulfanylindole is sourced from PubChem (CID 53301428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).