5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole

C21H17BrN2O — CID 162528409

IUPAC5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
SMILESCOc1ccc(Cn2nc(-c3ccccc3)c3cc(Br)ccc32)cc1
InChIInChI=1S/C21H17BrN2O/c1-25-18-10-7-15(8-11-18)14-24-20-12-9-17(22)13-19(20)21(23-24)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyILGIFCOTTXRVNL-UHFFFAOYSA-N
MW393.28 g/mol
LogP5.52
Rot. Bonds4

About 5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole

5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole (PubChem CID 162528409) has the molecular formula C21H17BrN2O and a molecular weight of 393.28 g/mol. Its IUPAC name is 5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole.

Molecular Properties

Compound Name5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
PubChem CID162528409
Molecular FormulaC21H17BrN2O
Molecular Weight393.28 g/mol
Exact Mass392.05
IUPAC Name5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
SMILESCOc1ccc(Cn2nc(-c3ccccc3)c3cc(Br)ccc32)cc1
InChIInChI=1S/C21H17BrN2O/c1-25-18-10-7-15(8-11-18)14-24-20-12-9-17(22)13-19(20)21(23-24)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyILGIFCOTTXRVNL-UHFFFAOYSA-N
XLogP5.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole with MolForge

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

Launch Full Analysis

Related Compounds

1-benzyl-5-bromo-3-[(3,4-dimethoxyphenyl)methyl]indazole
CID 118974280
1-benzyl-4-bromo-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586324
5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one
CID 123582637
3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 174608051
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586223
[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid
CID 90156932
5-iodo-1-[(4-methoxyphenyl)methyl]-4-phenyltriazole
CID 163323695
4-bromo-1-[(4-methoxyphenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
CID 19586803
3-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methyl]indazole
CID 51357040
6-bromo-2-[(4-methoxyphenyl)methyl]-4-(trifluoromethoxy)phthalazin-1-one
CID 162731856
phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate
CID 140745450
1-benzyl-5-bromo-3-[(3-methylphenyl)methyl]indazole
CID 118960046

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole?
The IUPAC name of 5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole (CID 162528409) is 5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole.
What is the SMILES notation for 5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole?
The canonical SMILES for 5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole is COc1ccc(Cn2nc(-c3ccccc3)c3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole?
The InChIKey is ILGIFCOTTXRVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O/c1-25-18-10-7-15(8-11-18)14-24-20-12-9-17(22)13-19(20)21(23-24)16-5-3-2-4-6-16/h2-13H,14H2,1H3.
What are the key properties of 5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole?
5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole has a molecular weight of 393.28 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole is sourced from PubChem (CID 162528409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).