2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile

C15H13N3OS — CID 135060346

IUPAC2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile
SMILESCOc1nc2c3ccccc3n(C)c2c(SC)c1C#N
InChIInChI=1S/C15H13N3OS/c1-18-11-7-5-4-6-9(11)12-13(18)14(20-3)10(8-16)15(17-12)19-2/h4-7H,1-3H3
InChIKeyUZYIEUCJOFQYOO-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.33
Rot. Bonds2

About 2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile

2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile (PubChem CID 135060346) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile
PubChem CID135060346
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile
SMILESCOc1nc2c3ccccc3n(C)c2c(SC)c1C#N
InChIInChI=1S/C15H13N3OS/c1-18-11-7-5-4-6-9(11)12-13(18)14(20-3)10(8-16)15(17-12)19-2/h4-7H,1-3H3
InChIKeyUZYIEUCJOFQYOO-UHFFFAOYSA-N
XLogP3.33
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile
CID 15423000
2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile
CID 23245545
6-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-2-methoxy-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 137178260
4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid
CID 10563006
5-methylsulfanylbenzo[f]quinoxaline-6-carbonitrile
CID 132546343
5-[4-cyano-3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139538922
6-methylindolo[3,2-b]quinoxaline-3-carbonitrile
CID 23354049
5-methylpyridazino[4,5-b]indole-4-carbonitrile
CID 15343013
9-methyl-1,3-diphenylcarbazole-2-carbonitrile
CID 3563048
2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile
CID 23245548
4-(4-fluorophenyl)-2-methoxy-5H-pyrido[3,2-b]indole-3-carbonitrile
CID 171985974
2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile
CID 149222859

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile?
The IUPAC name of 2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile (CID 135060346) is 2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile.
What is the SMILES notation for 2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile?
The canonical SMILES for 2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile is COc1nc2c3ccccc3n(C)c2c(SC)c1C#N.
What is the InChIKey of 2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile?
The InChIKey is UZYIEUCJOFQYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-18-11-7-5-4-6-9(11)12-13(18)14(20-3)10(8-16)15(17-12)19-2/h4-7H,1-3H3.
What are the key properties of 2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile?
2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile has a molecular weight of 283.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile is sourced from PubChem (CID 135060346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).