methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate

C17H15BrN2O3 — CID 90985719

IUPACmethyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate
SMILESCOC(=O)c1cc(Br)cc2c(Cc3ccc(OC)cc3)[nH]nc12
InChIInChI=1S/C17H15BrN2O3/c1-22-12-5-3-10(4-6-12)7-15-13-8-11(18)9-14(17(21)23-2)16(13)20-19-15/h3-6,8-9H,7H2,1-2H3,(H,19,20)
InChIKeyBQJJZOIPGXDVLX-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.71
Rot. Bonds4

About methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate

methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate (PubChem CID 90985719) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate
PubChem CID90985719
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Namemethyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate
SMILESCOC(=O)c1cc(Br)cc2c(Cc3ccc(OC)cc3)[nH]nc12
InChIInChI=1S/C17H15BrN2O3/c1-22-12-5-3-10(4-6-12)7-15-13-8-11(18)9-14(17(21)23-2)16(13)20-19-15/h3-6,8-9H,7H2,1-2H3,(H,19,20)
InChIKeyBQJJZOIPGXDVLX-UHFFFAOYSA-N
XLogP3.71
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate
CID 59023809
methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate
CID 8867169
methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 175275211
methyl 3-bromonaphthalene-1-carboxylate
CID 11311609
7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole
CID 68882173
methyl 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methylamino]benzoate
CID 129239172
methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate
CID 160887785
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
CID 135582022
1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 160984781
2-[(4-methoxyphenyl)methyl]-1H-pyrrole-3-carboxylic acid
CID 96599946
methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
CID 61305630
methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate
CID 134964677

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate?
The IUPAC name of methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate (CID 90985719) is methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate.
What is the SMILES notation for methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate?
The canonical SMILES for methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate is COC(=O)c1cc(Br)cc2c(Cc3ccc(OC)cc3)[nH]nc12.
What is the InChIKey of methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate?
The InChIKey is BQJJZOIPGXDVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-22-12-5-3-10(4-6-12)7-15-13-8-11(18)9-14(17(21)23-2)16(13)20-19-15/h3-6,8-9H,7H2,1-2H3,(H,19,20).
What are the key properties of methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate?
methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate has a molecular weight of 375.22 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate is sourced from PubChem (CID 90985719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).