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

C21H16N8O — CID 136947319

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESCc1ncc(-c2cc3c(-c4nc5c(-c6ccoc6)cncc5[nH]4)n[nH]c3cn2)n1C
InChIInChI=1S/C21H16N8O/c1-11-23-9-18(29(11)2)15-5-13-16(8-24-15)27-28-20(13)21-25-17-7-22-6-14(19(17)26-21)12-3-4-30-10-12/h3-10H,1-2H3,(H,25,26)(H,27,28)
InChIKeyNXZNQBZYUPFFNT-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.87
Rot. Bonds3

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

2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 136947319) 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[3,4-c]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[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
PubChem CID136947319
Molecular FormulaC21H16N8O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESCc1ncc(-c2cc3c(-c4nc5c(-c6ccoc6)cncc5[nH]4)n[nH]c3cn2)n1C
InChIInChI=1S/C21H16N8O/c1-11-23-9-18(29(11)2)15-5-13-16(8-24-15)27-28-20(13)21-25-17-7-22-6-14(19(17)26-21)12-3-4-30-10-12/h3-10H,1-2H3,(H,25,26)(H,27,28)
InChIKeyNXZNQBZYUPFFNT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]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[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine (CID 136947319) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]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[3,4-c]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[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine is Cc1ncc(-c2cc3c(-c4nc5c(-c6ccoc6)cncc5[nH]4)n[nH]c3cn2)n1C.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is NXZNQBZYUPFFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N8O/c1-11-23-9-18(29(11)2)15-5-13-16(8-24-15)27-28-20(13)21-25-17-7-22-6-14(19(17)26-21)12-3-4-30-10-12/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[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine?
2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]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[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136947319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).