1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile

C20H16N4O2S — CID 143136079

IUPAC1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile
SMILESCCS(=O)c1ccc(-n2c(=O)c(C#N)cc3c2c2ccccc2n3C)cn1
InChIInChI=1S/C20H16N4O2S/c1-3-27(26)18-9-8-14(12-22-18)24-19-15-6-4-5-7-16(15)23(2)17(19)10-13(11-21)20(24)25/h4-10,12H,3H2,1-2H3
InChIKeyQRDINGPSAFSUPI-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.88
Rot. Bonds3

About 1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile

1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile (PubChem CID 143136079) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile.

Molecular Properties

Compound Name1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile
PubChem CID143136079
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile
SMILESCCS(=O)c1ccc(-n2c(=O)c(C#N)cc3c2c2ccccc2n3C)cn1
InChIInChI=1S/C20H16N4O2S/c1-3-27(26)18-9-8-14(12-22-18)24-19-15-6-4-5-7-16(15)23(2)17(19)10-13(11-21)20(24)25/h4-10,12H,3H2,1-2H3
InChIKeyQRDINGPSAFSUPI-UHFFFAOYSA-N
XLogP2.88
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 755493
1-[4-[(1E)-1-hydroxybuta-1,3-dien-2-yl]phenyl]-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 142897864
1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 24812051
5-ethyl-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 10066953
5-[3-(4-methylpiperazin-1-yl)propyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 10389982
9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
CID 122501128
3-(5-tert-butyl-[1,2]oxazolo[4,5-b]pyridin-3-yl)-5-methyl-1-(4-nitrophenyl)pyrido[3,2-b]indol-2-one
CID 10074426
5-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 58988032
9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile
CID 122501086
2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile
CID 142753936
4-(4-oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile
CID 683491
ethane;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile
CID 143136086

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile?
The IUPAC name of 1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile (CID 143136079) is 1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile.
What is the SMILES notation for 1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile?
The canonical SMILES for 1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile is CCS(=O)c1ccc(-n2c(=O)c(C#N)cc3c2c2ccccc2n3C)cn1.
What is the InChIKey of 1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile?
The InChIKey is QRDINGPSAFSUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-3-27(26)18-9-8-14(12-22-18)24-19-15-6-4-5-7-16(15)23(2)17(19)10-13(11-21)20(24)25/h4-10,12H,3H2,1-2H3.
What are the key properties of 1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile?
1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile has a molecular weight of 376.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile is sourced from PubChem (CID 143136079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).