5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol

C24H15FN6O2 — CID 137109495

IUPAC5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C24H15FN6O2/c25-14-6-12(7-15(32)9-14)17-2-1-3-19-21(17)29-24(28-19)23-22-20(30-31-23)5-4-18(27-22)13-8-16(33)11-26-10-13/h1-11,32-33H,(H,28,29)(H,30,31)
InChIKeySIKCTKOAKIHXDF-UHFFFAOYSA-N
MW438.42 g/mol
LogP4.78
Rot. Bonds3

About 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol

5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol (PubChem CID 137109495) has the molecular formula C24H15FN6O2 and a molecular weight of 438.42 g/mol. Its IUPAC name is 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
PubChem CID137109495
Molecular FormulaC24H15FN6O2
Molecular Weight438.42 g/mol
Exact Mass438.12
IUPAC Name5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C24H15FN6O2/c25-14-6-12(7-15(32)9-14)17-2-1-3-19-21(17)29-24(28-19)23-22-20(30-31-23)5-4-18(27-22)13-8-16(33)11-26-10-13/h1-11,32-33H,(H,28,29)(H,30,31)
InChIKeySIKCTKOAKIHXDF-UHFFFAOYSA-N
XLogP4.78
TPSA123.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 54.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 137087339
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
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-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 137109642
5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137109284
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
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
5-[3-[7-(3-fluoro-5-hydroxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 136947550

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol (CID 137109495) is 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol is Oc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3n2)c1.
What is the InChIKey of 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?
The InChIKey is SIKCTKOAKIHXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6O2/c25-14-6-12(7-15(32)9-14)17-2-1-3-19-21(17)29-24(28-19)23-22-20(30-31-23)5-4-18(27-22)13-8-16(33)11-26-10-13/h1-11,32-33H,(H,28,29)(H,30,31).
What are the key properties of 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?
5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol has a molecular weight of 438.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 137109495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).