5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine

C26H21FN6 — CID 137284149

IUPAC5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(F)cc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cnc(C)n6C)cc45)cc23)c1
InChIInChI=1S/C26H21FN6/c1-14-7-16(9-18(27)8-14)19-5-4-6-22-20(19)11-23(30-22)25-21-10-17(12-29-26(21)32-31-25)24-13-28-15(2)33(24)3/h4-13,30H,1-3H3,(H,29,31,32)
InChIKeyNQCNFYBMHGMWOB-UHFFFAOYSA-N
MW436.49 g/mol
LogP5.93
Rot. Bonds3

About 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine

5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137284149) has the molecular formula C26H21FN6 and a molecular weight of 436.49 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID137284149
Molecular FormulaC26H21FN6
Molecular Weight436.49 g/mol
Exact Mass436.18
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(F)cc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cnc(C)n6C)cc45)cc23)c1
InChIInChI=1S/C26H21FN6/c1-14-7-16(9-18(27)8-14)19-5-4-6-22-20(19)11-23(30-22)25-21-10-17(12-29-26(21)32-31-25)24-13-28-15(2)33(24)3/h4-13,30H,1-3H3,(H,29,31,32)
InChIKeyNQCNFYBMHGMWOB-UHFFFAOYSA-N
XLogP5.93
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137041164
N-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137040681
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137284154
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137284122
3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]-5-fluorophenol
CID 137041808
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 137280821
3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-5-fluorophenol
CID 137115031
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137308508
5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137369492
5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145248459
N-[[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137310724
5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole
CID 137115814

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 137284149) is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine is Cc1cc(F)cc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cnc(C)n6C)cc45)cc23)c1.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is NQCNFYBMHGMWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6/c1-14-7-16(9-18(27)8-14)19-5-4-6-22-20(19)11-23(30-22)25-21-10-17(12-29-26(21)32-31-25)24-13-28-15(2)33(24)3/h4-13,30H,1-3H3,(H,29,31,32).
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 436.49 g/mol, XLogP of 5.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137284149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).