3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol

C25H19FN6O — CID 137114058

About 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol

3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol (PubChem CID 137114058) has the molecular formula C25H19FN6O and a molecular weight of 438.47 g/mol. Its IUPAC name is 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol.

Molecular Properties

• Compound Name: 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol
• PubChem CID: 137114058
• Molecular Formula: C25H19FN6O
• Molecular Weight: 438.47 g/mol
• Exact Mass: 438.16
• IUPAC Name: 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol
• SMILES: Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)n1C
• InChI: InChI=1S/C25H19FN6O/c1-13-28-12-23(32(13)2)14-3-4-21-18(9-14)25(31-30-21)22-11-19-20(29-22)5-6-27-24(19)15-7-16(26)10-17(33)8-15/h3-12,29,33H,1-2H3,(H,30,31)
• InChIKey: RLQJKGSNQYBMMR-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 95.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.47
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol?

The IUPAC name of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol (CID 137114058) is 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol.

What is the SMILES notation for 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol?

The canonical SMILES for 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol is Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)n1C.

What is the InChIKey of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol?

The InChIKey is RLQJKGSNQYBMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O/c1-13-28-12-23(32(13)2)14-3-4-21-18(9-14)25(31-30-21)22-11-19-20(29-22)5-6-27-24(19)15-7-16(26)10-17(33)8-15/h3-12,29,33H,1-2H3,(H,30,31).

What are the key properties of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol?

3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol has a molecular weight of 438.47 g/mol, XLogP of 5.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol is sourced from PubChem (CID 137114058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).