3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol

C24H16FN7O — CID 136937122

IUPAC3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
SMILESNc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C24H16FN7O/c25-15-5-13(7-17(33)9-15)21-23-20(3-4-28-21)29-24(30-23)22-18-8-12(1-2-19(18)31-32-22)14-6-16(26)11-27-10-14/h1-11,33H,26H2,(H,29,30)(H,31,32)
InChIKeyGANWPJKDHWIUFS-UHFFFAOYSA-N
MW437.44 g/mol
LogP4.66
Rot. Bonds3

About 3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol

3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol (PubChem CID 136937122) has the molecular formula C24H16FN7O and a molecular weight of 437.44 g/mol. Its IUPAC name is 3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
PubChem CID136937122
Molecular FormulaC24H16FN7O
Molecular Weight437.44 g/mol
Exact Mass437.14
IUPAC Name3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
SMILESNc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C24H16FN7O/c25-15-5-13(7-17(33)9-15)21-23-20(3-4-28-21)29-24(30-23)22-18-8-12(1-2-19(18)31-32-22)14-6-16(26)11-27-10-14/h1-11,33H,26H2,(H,29,30)(H,31,32)
InChIKeyGANWPJKDHWIUFS-UHFFFAOYSA-N
XLogP4.66
TPSA129.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
The IUPAC name of 3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol (CID 136937122) is 3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol.
What is the SMILES notation for 3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
The canonical SMILES for 3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol is Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
The InChIKey is GANWPJKDHWIUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7O/c25-15-5-13(7-17(33)9-15)21-23-20(3-4-28-21)29-24(30-23)22-18-8-12(1-2-19(18)31-32-22)14-6-16(26)11-27-10-14/h1-11,33H,26H2,(H,29,30)(H,31,32).
What are the key properties of 3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol has a molecular weight of 437.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol is sourced from PubChem (CID 136937122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).