3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

C22H21N7O3S — CID 134455500

IUPAC3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCCOc1ccc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc1C#N
InChIInChI=1S/C22H21N7O3S/c1-4-32-17-9-10-19(27-16(17)12-23)28-20-11-15(21-22(29-20)25-13(2)24-21)26-14-7-5-6-8-18(14)33(3,30)31/h5-11H,4H2,1-3H3,(H3,24,25,26,27,28,29)
InChIKeyWMAIJENKYDYQJT-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.82
Rot. Bonds7

About 3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134455500) has the molecular formula C22H21N7O3S and a molecular weight of 463.52 g/mol. Its IUPAC name is 3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134455500
Molecular FormulaC22H21N7O3S
Molecular Weight463.52 g/mol
Exact Mass463.14
IUPAC Name3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCCOc1ccc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc1C#N
InChIInChI=1S/C22H21N7O3S/c1-4-32-17-9-10-19(27-16(17)12-23)28-20-11-15(21-22(29-20)25-13(2)24-21)26-14-7-5-6-8-18(14)33(3,30)31/h5-11H,4H2,1-3H3,(H3,24,25,26,27,28,29)
InChIKeyWMAIJENKYDYQJT-UHFFFAOYSA-N
XLogP3.82
TPSA145.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134455500) is 3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is CCOc1ccc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc1C#N.
What is the InChIKey of 3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is WMAIJENKYDYQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3S/c1-4-32-17-9-10-19(27-16(17)12-23)28-20-11-15(21-22(29-20)25-13(2)24-21)26-14-7-5-6-8-18(14)33(3,30)31/h5-11H,4H2,1-3H3,(H3,24,25,26,27,28,29).
What are the key properties of 3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 463.52 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134455500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).