3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol

C24H18FN7O — CID 136938091

IUPAC3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol
SMILESCc1ncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)c3c2)n1C
InChIInChI=1S/C24H18FN7O/c1-12-27-11-20(32(12)2)13-3-4-19-18(9-13)22(31-30-19)24-28-21-17(5-6-26-23(21)29-24)14-7-15(25)10-16(33)8-14/h3-11,33H,1-2H3,(H,30,31)(H,26,28,29)
InChIKeySZMGEGKHKRXTHL-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.72
Rot. Bonds3

About 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol

3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol (PubChem CID 136938091) has the molecular formula C24H18FN7O and a molecular weight of 439.45 g/mol. Its IUPAC name is 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol
PubChem CID136938091
Molecular FormulaC24H18FN7O
Molecular Weight439.45 g/mol
Exact Mass439.16
IUPAC Name3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol
SMILESCc1ncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)c3c2)n1C
InChIInChI=1S/C24H18FN7O/c1-12-27-11-20(32(12)2)13-3-4-19-18(9-13)22(31-30-19)24-28-21-17(5-6-26-23(21)29-24)14-7-15(25)10-16(33)8-14/h3-11,33H,1-2H3,(H,30,31)(H,26,28,29)
InChIKeySZMGEGKHKRXTHL-UHFFFAOYSA-N
XLogP4.72
TPSA108.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol?
The IUPAC name of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol (CID 136938091) is 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol.
What is the SMILES notation for 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol?
The canonical SMILES for 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol is Cc1ncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)c3c2)n1C.
What is the InChIKey of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol?
The InChIKey is SZMGEGKHKRXTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O/c1-12-27-11-20(32(12)2)13-3-4-19-18(9-13)22(31-30-19)24-28-21-17(5-6-26-23(21)29-24)14-7-15(25)10-16(33)8-14/h3-11,33H,1-2H3,(H,30,31)(H,26,28,29).
What are the key properties of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol?
3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol has a molecular weight of 439.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol is sourced from PubChem (CID 136938091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).