2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol

C23H22BrN3O — CID 146342465

IUPAC2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-n1cc2cc(CNCCO)cc(Br)c2n1
InChIInChI=1S/C23H22BrN3O/c1-16-20(18-6-3-2-4-7-18)8-5-9-22(16)27-15-19-12-17(14-25-10-11-28)13-21(24)23(19)26-27/h2-9,12-13,15,25,28H,10-11,14H2,1H3
InChIKeyZDDAAGSVAIKSIZ-UHFFFAOYSA-N
MW436.35 g/mol
LogP4.85
Rot. Bonds6

About 2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol

2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol (PubChem CID 146342465) has the molecular formula C23H22BrN3O and a molecular weight of 436.35 g/mol. Its IUPAC name is 2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol
PubChem CID146342465
Molecular FormulaC23H22BrN3O
Molecular Weight436.35 g/mol
Exact Mass435.09
IUPAC Name2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-n1cc2cc(CNCCO)cc(Br)c2n1
InChIInChI=1S/C23H22BrN3O/c1-16-20(18-6-3-2-4-7-18)8-5-9-22(16)27-15-19-12-17(14-25-10-11-28)13-21(24)23(19)26-27/h2-9,12-13,15,25,28H,10-11,14H2,1H3
InChIKeyZDDAAGSVAIKSIZ-UHFFFAOYSA-N
XLogP4.85
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol?
The IUPAC name of 2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol (CID 146342465) is 2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol?
The canonical SMILES for 2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol is Cc1c(-c2ccccc2)cccc1-n1cc2cc(CNCCO)cc(Br)c2n1.
What is the InChIKey of 2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol?
The InChIKey is ZDDAAGSVAIKSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O/c1-16-20(18-6-3-2-4-7-18)8-5-9-22(16)27-15-19-12-17(14-25-10-11-28)13-21(24)23(19)26-27/h2-9,12-13,15,25,28H,10-11,14H2,1H3.
What are the key properties of 2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol?
2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol has a molecular weight of 436.35 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol is sourced from PubChem (CID 146342465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).