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

C27H22FN5O — CID 137115431

IUPAC5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C)n6C)cc45)cc23)c1
InChIInChI=1S/C27H22FN5O/c1-15-29-14-26(33(15)2)16-7-8-24-22(11-16)27(32-31-24)25-13-21-20(5-4-6-23(21)30-25)17-9-18(28)12-19(10-17)34-3/h4-14,30H,1-3H3,(H,31,32)
InChIKeyQJOVQLKUXJXXCP-UHFFFAOYSA-N
MW451.51 g/mol
LogP6.23
Rot. Bonds4

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

5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole (PubChem CID 137115431) has the molecular formula C27H22FN5O and a molecular weight of 451.51 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole
PubChem CID137115431
Molecular FormulaC27H22FN5O
Molecular Weight451.51 g/mol
Exact Mass451.18
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C)n6C)cc45)cc23)c1
InChIInChI=1S/C27H22FN5O/c1-15-29-14-26(33(15)2)16-7-8-24-22(11-16)27(32-31-24)25-13-21-20(5-4-6-23(21)30-25)17-9-18(28)12-19(10-17)34-3/h4-14,30H,1-3H3,(H,31,32)
InChIKeyQJOVQLKUXJXXCP-UHFFFAOYSA-N
XLogP6.23
TPSA71.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.51
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-indazole?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole (CID 137115431) is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole is COc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-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-indazole?
The InChIKey is QJOVQLKUXJXXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O/c1-15-29-14-26(33(15)2)16-7-8-24-22(11-16)27(32-31-24)25-13-21-20(5-4-6-23(21)30-25)17-9-18(28)12-19(10-17)34-3/h4-14,30H,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-indazole?
5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole has a molecular weight of 451.51 g/mol, XLogP of 6.23, 4 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-methoxyphenyl)-1H-indol-2-yl]-1H-indazole is sourced from PubChem (CID 137115431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).