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

C21H16N8O — CID 137110881

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESCc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3n2)n1C
InChIInChI=1S/C21H16N8O/c1-11-23-9-17(29(11)2)14-3-4-15-19(24-14)20(28-27-15)21-25-16-8-22-7-13(18(16)26-21)12-5-6-30-10-12/h3-10H,1-2H3,(H,25,26)(H,27,28)
InChIKeyLDUYQFQBDKVQMQ-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.87
Rot. Bonds3

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

2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 137110881) has the molecular formula C21H16N8O and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
PubChem CID137110881
Molecular FormulaC21H16N8O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESCc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3n2)n1C
InChIInChI=1S/C21H16N8O/c1-11-23-9-17(29(11)2)14-3-4-15-19(24-14)20(28-27-15)21-25-16-8-22-7-13(18(16)26-21)12-5-6-30-10-12/h3-10H,1-2H3,(H,25,26)(H,27,28)
InChIKeyLDUYQFQBDKVQMQ-UHFFFAOYSA-N
XLogP3.87
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine (CID 137110881) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine is Cc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3n2)n1C.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is LDUYQFQBDKVQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N8O/c1-11-23-9-17(29(11)2)14-3-4-15-19(24-14)20(28-27-15)21-25-16-8-22-7-13(18(16)26-21)12-5-6-30-10-12/h3-10H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine?
2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 396.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137110881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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