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

C22H14N8 — CID 137109763

IUPAC5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3n2)c1
InChIInChI=1S/C22H14N8/c1-3-13(9-23-7-1)15-11-25-12-18-19(15)28-22(27-18)21-20-17(29-30-21)6-5-16(26-20)14-4-2-8-24-10-14/h1-12H,(H,27,28)(H,29,30)
InChIKeyXCDYGCYQBDFNAY-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.02
Rot. Bonds3

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

5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137109763) has the molecular formula C22H14N8 and a molecular weight of 390.41 g/mol. Its IUPAC name is 5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID137109763
Molecular FormulaC22H14N8
Molecular Weight390.41 g/mol
Exact Mass390.13
IUPAC Name5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3n2)c1
InChIInChI=1S/C22H14N8/c1-3-13(9-23-7-1)15-11-25-12-18-19(15)28-22(27-18)21-20-17(29-30-21)6-5-16(26-20)14-4-2-8-24-10-14/h1-12H,(H,27,28)(H,29,30)
InChIKeyXCDYGCYQBDFNAY-UHFFFAOYSA-N
XLogP4.02
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137109763) is 5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3n2)c1.
What is the InChIKey of 5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is XCDYGCYQBDFNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N8/c1-3-13(9-23-7-1)15-11-25-12-18-19(15)28-22(27-18)21-20-17(29-30-21)6-5-16(26-20)14-4-2-8-24-10-14/h1-12H,(H,27,28)(H,29,30).
What are the key properties of 5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 390.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137109763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).