methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate

C18H17BrN2O3 — CID 137397331

IUPACmethyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate
SMILESCOC(=O)Cc1cccc2c1cnn2Cc1cc(Br)ccc1OC
InChIInChI=1S/C18H17BrN2O3/c1-23-17-7-6-14(19)8-13(17)11-21-16-5-3-4-12(9-18(22)24-2)15(16)10-20-21/h3-8,10H,9,11H2,1-2H3
InChIKeyPAAIAUVXDOYIPD-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.57
Rot. Bonds5

About methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate

methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate (PubChem CID 137397331) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate
PubChem CID137397331
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Namemethyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate
SMILESCOC(=O)Cc1cccc2c1cnn2Cc1cc(Br)ccc1OC
InChIInChI=1S/C18H17BrN2O3/c1-23-17-7-6-14(19)8-13(17)11-21-16-5-3-4-12(9-18(22)24-2)15(16)10-20-21/h3-8,10H,9,11H2,1-2H3
InChIKeyPAAIAUVXDOYIPD-UHFFFAOYSA-N
XLogP3.57
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55905258
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084655
5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(3-methylphenyl)triazole-4-carboxamide
CID 20862674
3,5-dibromo-1-[(5-bromo-2-methoxyphenyl)methyl]pyrazole
CID 114692719
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 20877615
[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66400336
1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole
CID 137397184
propan-2-yl 2-(5-bromo-2-methoxyphenyl)acetate
CID 82550039
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanone
CID 79106520
methyl 2-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]acetate
CID 55400234
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 4085464
methyl 2-(5-bromo-2-methoxyphenoxy)acetate
CID 178201298

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate?
The IUPAC name of methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate (CID 137397331) is methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate is COC(=O)Cc1cccc2c1cnn2Cc1cc(Br)ccc1OC.
What is the InChIKey of methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate?
The InChIKey is PAAIAUVXDOYIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-23-17-7-6-14(19)8-13(17)11-21-16-5-3-4-12(9-18(22)24-2)15(16)10-20-21/h3-8,10H,9,11H2,1-2H3.
What are the key properties of methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate?
methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate has a molecular weight of 389.25 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate is sourced from PubChem (CID 137397331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).