2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile

C24H18N4OS — CID 44570803

IUPAC2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile
SMILESCOc1ccccc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(C#N)cnc2s1
InChIInChI=1S/C24H18N4OS/c1-14-16-9-10-26-20(16)8-7-19(14)28-23-15(12-25)13-27-24-18(23)11-22(30-24)17-5-3-4-6-21(17)29-2/h3-11,13,26H,1-2H3,(H,27,28)
InChIKeyZYTAPJWMMBTUHH-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.38
Rot. Bonds4

About 2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile

2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 44570803) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID44570803
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile
SMILESCOc1ccccc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(C#N)cnc2s1
InChIInChI=1S/C24H18N4OS/c1-14-16-9-10-26-20(16)8-7-19(14)28-23-15(12-25)13-27-24-18(23)11-22(30-24)17-5-3-4-6-21(17)29-2/h3-11,13,26H,1-2H3,(H,27,28)
InChIKeyZYTAPJWMMBTUHH-UHFFFAOYSA-N
XLogP6.38
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile (CID 44570803) is 2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile is COc1ccccc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(C#N)cnc2s1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is ZYTAPJWMMBTUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c1-14-16-9-10-26-20(16)8-7-19(14)28-23-15(12-25)13-27-24-18(23)11-22(30-24)17-5-3-4-6-21(17)29-2/h3-11,13,26H,1-2H3,(H,27,28).
What are the key properties of 2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile?
2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 410.50 g/mol, XLogP of 6.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 44570803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).