6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

C28H26N8O2S — CID 134456293

IUPAC6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3cccc(C#N)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nccs1
InChIInChI=1S/C28H26N8O2S/c1-17-31-25-21(33-20-9-6-8-19(26(20)37-2)28-30-12-14-39-28)15-23(34-22-10-5-7-18(16-29)32-22)35-27(25)36(17)24-11-3-4-13-38-24/h5-10,12,14-15,24H,3-4,11,13H2,1-2H3,(H2,32,33,34,35)
InChIKeyFKHVJPPUDXHBKG-UHFFFAOYSA-N
MW538.64 g/mol
LogP6.32
Rot. Bonds7

About 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134456293) has the molecular formula C28H26N8O2S and a molecular weight of 538.64 g/mol. Its IUPAC name is 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134456293
Molecular FormulaC28H26N8O2S
Molecular Weight538.64 g/mol
Exact Mass538.19
IUPAC Name6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3cccc(C#N)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nccs1
InChIInChI=1S/C28H26N8O2S/c1-17-31-25-21(33-20-9-6-8-19(26(20)37-2)28-30-12-14-39-28)15-23(34-22-10-5-7-18(16-29)32-22)35-27(25)36(17)24-11-3-4-13-38-24/h5-10,12,14-15,24H,3-4,11,13H2,1-2H3,(H2,32,33,34,35)
InChIKeyFKHVJPPUDXHBKG-UHFFFAOYSA-N
XLogP6.32
TPSA122.80 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500538.64
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134456293) is 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is COc1c(Nc2cc(Nc3cccc(C#N)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nccs1.
What is the InChIKey of 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is FKHVJPPUDXHBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O2S/c1-17-31-25-21(33-20-9-6-8-19(26(20)37-2)28-30-12-14-39-28)15-23(34-22-10-5-7-18(16-29)32-22)35-27(25)36(17)24-11-3-4-13-38-24/h5-10,12,14-15,24H,3-4,11,13H2,1-2H3,(H2,32,33,34,35).
What are the key properties of 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 538.64 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134456293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).