2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine

C20H12N8S — CID 137056920

IUPAC2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
SMILESc1cnc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3c2)cn1
InChIInChI=1S/C20H12N8S/c1-3-23-19-16(13(1)11-2-6-29-10-11)25-20(26-19)17-14-7-12(8-24-18(14)28-27-17)15-9-21-4-5-22-15/h1-10H,(H,23,25,26)(H,24,27,28)
InChIKeyIYLXSSUZLHZMLL-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.08
Rot. Bonds3

About 2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine

2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137056920) has the molecular formula C20H12N8S and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
PubChem CID137056920
Molecular FormulaC20H12N8S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
SMILESc1cnc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3c2)cn1
InChIInChI=1S/C20H12N8S/c1-3-23-19-16(13(1)11-2-6-29-10-11)25-20(26-19)17-14-7-12(8-24-18(14)28-27-17)15-9-21-4-5-22-15/h1-10H,(H,23,25,26)(H,24,27,28)
InChIKeyIYLXSSUZLHZMLL-UHFFFAOYSA-N
XLogP4.08
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

N-[[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137056133
3,3-dimethyl-N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137056166
2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137056912
2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 136937444
3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 137056035
3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137056885
3-fluoro-5-[2-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol
CID 137057177
N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
CID 136937325
3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol
CID 137057162
2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 136945704
5-[7-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137134490
2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 136937438

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (CID 137056920) is 2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is c1cnc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3c2)cn1.
What is the InChIKey of 2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is IYLXSSUZLHZMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N8S/c1-3-23-19-16(13(1)11-2-6-29-10-11)25-20(26-19)17-14-7-12(8-24-18(14)28-27-17)15-9-21-4-5-22-15/h1-10H,(H,23,25,26)(H,24,27,28).
What are the key properties of 2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 396.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137056920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).