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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Related Compounds

Torkinib
CID 135565635
5-(7-(4-((1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 46879449
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
3-[7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880138
2-fluoro-5-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880217
3-[3-(Quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenol
CID 127046394
3-ethyl-4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenol
CID 137645020
3-hydroxybenzaldehyde (8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
CID 9566753
3-hydroxybenzaldehyde (8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
CID 9567177
3-(3-Indolylmethyl)-6-(3-hydroxylphenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406046

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).