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

C26H21FN6O — CID 137113867

IUPAC5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)cc23)c1
InChIInChI=1S/C26H21FN6O/c1-14-28-13-25(33(14)2)22-11-20-24(12-29-22)31-32-26(20)23-10-19-18(5-4-6-21(19)30-23)15-7-16(27)9-17(8-15)34-3/h4-13,30H,1-3H3,(H,31,32)
InChIKeyOALSEMGUCGPZDZ-UHFFFAOYSA-N
MW452.49 g/mol
LogP5.63
Rot. Bonds4

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

5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137113867) has the molecular formula C26H21FN6O and a molecular weight of 452.49 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID137113867
Molecular FormulaC26H21FN6O
Molecular Weight452.49 g/mol
Exact Mass452.18
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)cc23)c1
InChIInChI=1S/C26H21FN6O/c1-14-28-13-25(33(14)2)22-11-20-24(12-29-22)31-32-26(20)23-10-19-18(5-4-6-21(19)30-23)15-7-16(27)9-17(8-15)34-3/h4-13,30H,1-3H3,(H,31,32)
InChIKeyOALSEMGUCGPZDZ-UHFFFAOYSA-N
XLogP5.63
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine (CID 137113867) is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine is COc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)cc23)c1.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is OALSEMGUCGPZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6O/c1-14-28-13-25(33(14)2)22-11-20-24(12-29-22)31-32-26(20)23-10-19-18(5-4-6-21(19)30-23)15-7-16(27)9-17(8-15)34-3/h4-13,30H,1-3H3,(H,31,32).
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine?
5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 452.49 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137113867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).