3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine

C61H39BrClF3N12 — CID 158528163

IUPAC3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ccc(-c2[nH]nc3nc(-c4ccc5cc[nH]c5c4)ccc23)cc1F.Fc1cc(-c2[nH]nc3nc(-c4ccc5cc[nH]c5c4)ccc23)ccc1Br.Fc1cc(-c2[nH]nc3nc(-c4ccc5cc[nH]c5c4)ccc23)ccc1Cl
InChIInChI=1S/C21H15FN4.C20H12BrFN4.C20H12ClFN4/c1-12-2-3-15(10-17(12)22)20-16-6-7-18(24-21(16)26-25-20)14-5-4-13-8-9-23-19(13)11-14;2*21-15-5-3-13(9-16(15)22)19-14-4-6-17(24-20(14)26-25-19)12-2-1-11-7-8-23-18(11)10-12/h2-11,23H,1H3,(H,24,25,26);2*1-10,23H,(H,24,25,26)
InChIKeyHNAPYICYPUFVPC-UHFFFAOYSA-N
MW1112.42 g/mol
LogP16.46
Rot. Bonds6

About 3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine

3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 158528163) has the molecular formula C61H39BrClF3N12 and a molecular weight of 1112.42 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID158528163
Molecular FormulaC61H39BrClF3N12
Molecular Weight1112.42 g/mol
Exact Mass1110.22
IUPAC Name3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ccc(-c2[nH]nc3nc(-c4ccc5cc[nH]c5c4)ccc23)cc1F.Fc1cc(-c2[nH]nc3nc(-c4ccc5cc[nH]c5c4)ccc23)ccc1Br.Fc1cc(-c2[nH]nc3nc(-c4ccc5cc[nH]c5c4)ccc23)ccc1Cl
InChIInChI=1S/C21H15FN4.C20H12BrFN4.C20H12ClFN4/c1-12-2-3-15(10-17(12)22)20-16-6-7-18(24-21(16)26-25-20)14-5-4-13-8-9-23-19(13)11-14;2*21-15-5-3-13(9-16(15)22)19-14-4-6-17(24-20(14)26-25-19)12-2-1-11-7-8-23-18(11)10-12/h2-11,23H,1H3,(H,24,25,26);2*1-10,23H,(H,24,25,26)
InChIKeyHNAPYICYPUFVPC-UHFFFAOYSA-N
XLogP16.46
TPSA172.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001112.42
LogP ≤ 516.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine (CID 158528163) is 3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine is Cc1ccc(-c2[nH]nc3nc(-c4ccc5cc[nH]c5c4)ccc23)cc1F.Fc1cc(-c2[nH]nc3nc(-c4ccc5cc[nH]c5c4)ccc23)ccc1Br.Fc1cc(-c2[nH]nc3nc(-c4ccc5cc[nH]c5c4)ccc23)ccc1Cl.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is HNAPYICYPUFVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4.C20H12BrFN4.C20H12ClFN4/c1-12-2-3-15(10-17(12)22)20-16-6-7-18(24-21(16)26-25-20)14-5-4-13-8-9-23-19(13)11-14;2*21-15-5-3-13(9-16(15)22)19-14-4-6-17(24-20(14)26-25-19)12-2-1-11-7-8-23-18(11)10-12/h2-11,23H,1H3,(H,24,25,26);2*1-10,23H,(H,24,25,26).
What are the key properties of 3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine?
3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1112.42 g/mol, XLogP of 16.46, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-3-fluorophenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-4-methylphenyl)-6-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 158528163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).