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

C23H18N8OS — CID 134455490

IUPAC6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3cccc(C#N)n3)nc3nc(C)[nH]c23)cccc1-c1nccs1
InChIInChI=1S/C23H18N8OS/c1-13-26-20-17(29-16-7-4-6-15(21(16)32-2)23-25-9-10-33-23)11-19(31-22(20)27-13)30-18-8-3-5-14(12-24)28-18/h3-11H,1-2H3,(H3,26,27,28,29,30,31)
InChIKeyIWOLOAOVHWVMMJ-UHFFFAOYSA-N
MW454.52 g/mol
LogP5.15
Rot. Bonds6

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

6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134455490) has the molecular formula C23H18N8OS and a molecular weight of 454.52 g/mol. Its IUPAC name is 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-1H-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-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134455490
Molecular FormulaC23H18N8OS
Molecular Weight454.52 g/mol
Exact Mass454.13
IUPAC Name6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3cccc(C#N)n3)nc3nc(C)[nH]c23)cccc1-c1nccs1
InChIInChI=1S/C23H18N8OS/c1-13-26-20-17(29-16-7-4-6-15(21(16)32-2)23-25-9-10-33-23)11-19(31-22(20)27-13)30-18-8-3-5-14(12-24)28-18/h3-11H,1-2H3,(H3,26,27,28,29,30,31)
InChIKeyIWOLOAOVHWVMMJ-UHFFFAOYSA-N
XLogP5.15
TPSA124.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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-1H-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-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134455490) is 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-1H-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-1H-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-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is COc1c(Nc2cc(Nc3cccc(C#N)n3)nc3nc(C)[nH]c23)cccc1-c1nccs1.
What is the InChIKey of 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is IWOLOAOVHWVMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8OS/c1-13-26-20-17(29-16-7-4-6-15(21(16)32-2)23-25-9-10-33-23)11-19(31-22(20)27-13)30-18-8-3-5-14(12-24)28-18/h3-11H,1-2H3,(H3,26,27,28,29,30,31).
What are the key properties of 6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[7-[2-methoxy-3-(1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 454.52 g/mol, XLogP of 5.15, 6 rotatable bonds, 3 hydrogen bond donors, and 9 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-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134455490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).