methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate

C23H25BrN2O3 — CID 68744547

IUPACmethyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate
SMILESCOC(=O)CCc1cc(Br)c(OC2CCCC2)c(-c2ccc3c(cnn3C)c2)c1
InChIInChI=1S/C23H25BrN2O3/c1-26-21-9-8-16(13-17(21)14-25-26)19-11-15(7-10-22(27)28-2)12-20(24)23(19)29-18-5-3-4-6-18/h8-9,11-14,18H,3-7,10H2,1-2H3
InChIKeyGWOXDNHHXKMHFV-UHFFFAOYSA-N
MW457.37 g/mol
LogP5.43
Rot. Bonds6

About methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate

methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate (PubChem CID 68744547) has the molecular formula C23H25BrN2O3 and a molecular weight of 457.37 g/mol. Its IUPAC name is methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate
PubChem CID68744547
Molecular FormulaC23H25BrN2O3
Molecular Weight457.37 g/mol
Exact Mass456.10
IUPAC Namemethyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate
SMILESCOC(=O)CCc1cc(Br)c(OC2CCCC2)c(-c2ccc3c(cnn3C)c2)c1
InChIInChI=1S/C23H25BrN2O3/c1-26-21-9-8-16(13-17(21)14-25-26)19-11-15(7-10-22(27)28-2)12-20(24)23(19)29-18-5-3-4-6-18/h8-9,11-14,18H,3-7,10H2,1-2H3
InChIKeyGWOXDNHHXKMHFV-UHFFFAOYSA-N
XLogP5.43
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.37
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate 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 methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate?
The IUPAC name of methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate (CID 68744547) is methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate.
What is the SMILES notation for methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate?
The canonical SMILES for methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate is COC(=O)CCc1cc(Br)c(OC2CCCC2)c(-c2ccc3c(cnn3C)c2)c1.
What is the InChIKey of methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate?
The InChIKey is GWOXDNHHXKMHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O3/c1-26-21-9-8-16(13-17(21)14-25-26)19-11-15(7-10-22(27)28-2)12-20(24)23(19)29-18-5-3-4-6-18/h8-9,11-14,18H,3-7,10H2,1-2H3.
What are the key properties of methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate?
methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate has a molecular weight of 457.37 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-bromo-4-cyclopentyloxy-5-(1-methylindazol-5-yl)phenyl]propanoate is sourced from PubChem (CID 68744547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).