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

C21H13N7S — CID 136945704

IUPAC2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
SMILESc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)nc1
InChIInChI=1S/C21H13N7S/c1-2-6-22-15(3-1)13-9-14-18(27-28-20(14)24-10-13)21-25-16-4-7-23-17(19(16)26-21)12-5-8-29-11-12/h1-11H,(H,25,26)(H,24,27,28)
InChIKeyFSJUDNDSMXFEDK-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.69
Rot. Bonds3

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

2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 136945704) has the molecular formula C21H13N7S and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
PubChem CID136945704
Molecular FormulaC21H13N7S
Molecular Weight395.45 g/mol
Exact Mass395.10
IUPAC Name2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
SMILESc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)nc1
InChIInChI=1S/C21H13N7S/c1-2-6-22-15(3-1)13-9-14-18(27-28-20(14)24-10-13)21-25-16-4-7-23-17(19(16)26-21)12-5-8-29-11-12/h1-11H,(H,25,26)(H,24,27,28)
InChIKeyFSJUDNDSMXFEDK-UHFFFAOYSA-N
XLogP4.69
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-pyridin-2-yl-2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136945578
2-phenyl-N-[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136944916
1-[5-[2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136945742
1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136945636
2-[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 136945577
3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945567
N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145039061
2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 136945570
3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 136945744
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
3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol
CID 136945890
3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 145038002

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 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) is 2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is c1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)nc1.
What is the InChIKey of 2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?
The InChIKey is FSJUDNDSMXFEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N7S/c1-2-6-22-15(3-1)13-9-14-18(27-28-20(14)24-10-13)21-25-16-4-7-23-17(19(16)26-21)12-5-8-29-11-12/h1-11H,(H,25,26)(H,24,27,28).
What are the key properties of 2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?
2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 395.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136945704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).