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

C22H17N7O — CID 136936908

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESCc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)n1C
InChIInChI=1S/C22H17N7O/c1-12-24-10-18(29(12)2)13-3-4-16-15(9-13)20(28-27-16)22-25-17-5-7-23-19(21(17)26-22)14-6-8-30-11-14/h3-11H,1-2H3,(H,25,26)(H,27,28)
InChIKeyWDMQKRADLDEXCS-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.47
Rot. Bonds3

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

2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136936908) has the molecular formula C22H17N7O and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID136936908
Molecular FormulaC22H17N7O
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESCc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)n1C
InChIInChI=1S/C22H17N7O/c1-12-24-10-18(29(12)2)13-3-4-16-15(9-13)20(28-27-16)22-25-17-5-7-23-19(21(17)26-22)14-6-8-30-11-14/h3-11H,1-2H3,(H,25,26)(H,27,28)
InChIKeyWDMQKRADLDEXCS-UHFFFAOYSA-N
XLogP4.47
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-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-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (CID 136936908) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is Cc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)n1C.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is WDMQKRADLDEXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O/c1-12-24-10-18(29(12)2)13-3-4-16-15(9-13)20(28-27-16)22-25-17-5-7-23-19(21(17)26-22)14-6-8-30-11-14/h3-11H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 395.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).