3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine

C28H23FN6O2S — CID 158097283

IUPAC3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5cc(F)cc(CCS(C)(=O)=O)c5)cccc4[nH]3)c2n1
InChIInChI=1S/C28H23FN6O2S/c1-16-8-10-30-15-21(16)22-6-7-24-26(31-22)27(35-34-24)28-32-23-5-3-4-20(25(23)33-28)18-12-17(13-19(29)14-18)9-11-38(2,36)37/h3-8,10,12-15H,9,11H2,1-2H3,(H,32,33)(H,34,35)
InChIKeyFOVAMYBFXXENLL-UHFFFAOYSA-N
MW526.60 g/mol
LogP5.26
Rot. Bonds6

About 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine

3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 158097283) has the molecular formula C28H23FN6O2S and a molecular weight of 526.60 g/mol. Its IUPAC name is 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID158097283
Molecular FormulaC28H23FN6O2S
Molecular Weight526.60 g/mol
Exact Mass526.16
IUPAC Name3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5cc(F)cc(CCS(C)(=O)=O)c5)cccc4[nH]3)c2n1
InChIInChI=1S/C28H23FN6O2S/c1-16-8-10-30-15-21(16)22-6-7-24-26(31-22)27(35-34-24)28-32-23-5-3-4-20(25(23)33-28)18-12-17(13-19(29)14-18)9-11-38(2,36)37/h3-8,10,12-15H,9,11H2,1-2H3,(H,32,33)(H,34,35)
InChIKeyFOVAMYBFXXENLL-UHFFFAOYSA-N
XLogP5.26
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine with MolForge

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Related Compounds

3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 160908311
3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 152833329
4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 147325254
3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
CID 159163571
5-[4-fluoro-3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 159895919
4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
CID 159182817
4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 149412391
5-[4-fluoro-3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 158328360
3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 145033082
N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]methyl]methanesulfonamide
CID 137109339
N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 157404551
5-[3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 162053720

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (CID 158097283) is 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5cc(F)cc(CCS(C)(=O)=O)c5)cccc4[nH]3)c2n1.
What is the InChIKey of 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is FOVAMYBFXXENLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O2S/c1-16-8-10-30-15-21(16)22-6-7-24-26(31-22)27(35-34-24)28-32-23-5-3-4-20(25(23)33-28)18-12-17(13-19(29)14-18)9-11-38(2,36)37/h3-8,10,12-15H,9,11H2,1-2H3,(H,32,33)(H,34,35).
What are the key properties of 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 526.60 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 158097283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).