3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol

C24H16FN7O — CID 137087339

IUPAC3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
SMILESNc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C24H16FN7O/c25-14-6-12(8-16(33)9-14)17-2-1-3-19-21(17)30-24(29-19)23-22-20(31-32-23)5-4-18(28-22)13-7-15(26)11-27-10-13/h1-11,33H,26H2,(H,29,30)(H,31,32)
InChIKeyHIKFBRJXDXZCGM-UHFFFAOYSA-N
MW437.44 g/mol
LogP4.66
Rot. Bonds3

About 3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol

3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol (PubChem CID 137087339) 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-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
PubChem CID137087339
Molecular FormulaC24H16FN7O
Molecular Weight437.44 g/mol
Exact Mass437.14
IUPAC Name3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
SMILESNc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C24H16FN7O/c25-14-6-12(8-16(33)9-14)17-2-1-3-19-21(17)30-24(29-19)23-22-20(31-32-23)5-4-18(28-22)13-7-15(26)11-27-10-13/h1-11,33H,26H2,(H,29,30)(H,31,32)
InChIKeyHIKFBRJXDXZCGM-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

5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137109495
5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137109284
3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 137109461
3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 137109568
3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenol
CID 137110240
3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 137109642
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137109498
5-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137038943
5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137308709
3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137087522
3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol
CID 136943288
5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109752

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol?
The IUPAC name of 3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol (CID 137087339) is 3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol.
What is the SMILES notation for 3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol?
The canonical SMILES for 3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol is Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3n2)c1.
What is the InChIKey of 3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol?
The InChIKey is HIKFBRJXDXZCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7O/c25-14-6-12(8-16(33)9-14)17-2-1-3-19-21(17)30-24(29-19)23-22-20(31-32-23)5-4-18(28-22)13-7-15(26)11-27-10-13/h1-11,33H,26H2,(H,29,30)(H,31,32).
What are the key properties of 3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol?
3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-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-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol is sourced from PubChem (CID 137087339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).