2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile

C16H15N3OS — CID 23245545

IUPAC2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile
SMILESCOCc1nc2c(c(SC)c1C#N)c1ccccc1n2C
InChIInChI=1S/C16H15N3OS/c1-19-13-7-5-4-6-10(13)14-15(21-3)11(8-17)12(9-20-2)18-16(14)19/h4-7H,9H2,1-3H3
InChIKeyMSOYCTKGVBBEKI-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.47
Rot. Bonds3

About 2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile

2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile (PubChem CID 23245545) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile.

Molecular Properties

Compound Name2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile
PubChem CID23245545
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile
SMILESCOCc1nc2c(c(SC)c1C#N)c1ccccc1n2C
InChIInChI=1S/C16H15N3OS/c1-19-13-7-5-4-6-10(13)14-15(21-3)11(8-17)12(9-20-2)18-16(14)19/h4-7H,9H2,1-3H3
InChIKeyMSOYCTKGVBBEKI-UHFFFAOYSA-N
XLogP3.47
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile?
The IUPAC name of 2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile (CID 23245545) is 2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile.
What is the SMILES notation for 2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile?
The canonical SMILES for 2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile is COCc1nc2c(c(SC)c1C#N)c1ccccc1n2C.
What is the InChIKey of 2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile?
The InChIKey is MSOYCTKGVBBEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-19-13-7-5-4-6-10(13)14-15(21-3)11(8-17)12(9-20-2)18-16(14)19/h4-7H,9H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile?
2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile has a molecular weight of 297.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile is sourced from PubChem (CID 23245545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).