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

C24H28N2O3 — CID 68745059

IUPACmethyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate
SMILESCOC(=O)CCc1cc(C)c(OC2CCCC2)c(-c2ccc3c(cnn3C)c2)c1
InChIInChI=1S/C24H28N2O3/c1-16-12-17(8-11-23(27)28-3)13-21(24(16)29-20-6-4-5-7-20)18-9-10-22-19(14-18)15-25-26(22)2/h9-10,12-15,20H,4-8,11H2,1-3H3
InChIKeyBJEYLVIUIHVIIU-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.98
Rot. Bonds6

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

methyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate (PubChem CID 68745059) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is methyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate
PubChem CID68745059
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Namemethyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate
SMILESCOC(=O)CCc1cc(C)c(OC2CCCC2)c(-c2ccc3c(cnn3C)c2)c1
InChIInChI=1S/C24H28N2O3/c1-16-12-17(8-11-23(27)28-3)13-21(24(16)29-20-6-4-5-7-20)18-9-10-22-19(14-18)15-25-26(22)2/h9-10,12-15,20H,4-8,11H2,1-3H3
InChIKeyBJEYLVIUIHVIIU-UHFFFAOYSA-N
XLogP4.98
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate?
The IUPAC name of methyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate (CID 68745059) is methyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate?
The canonical SMILES for methyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate is COC(=O)CCc1cc(C)c(OC2CCCC2)c(-c2ccc3c(cnn3C)c2)c1.
What is the InChIKey of methyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate?
The InChIKey is BJEYLVIUIHVIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-12-17(8-11-23(27)28-3)13-21(24(16)29-20-6-4-5-7-20)18-9-10-22-19(14-18)15-25-26(22)2/h9-10,12-15,20H,4-8,11H2,1-3H3.
What are the key properties of methyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate?
methyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate has a molecular weight of 392.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-cyclopentyloxy-3-methyl-5-(1-methylindazol-5-yl)phenyl]propanoate is sourced from PubChem (CID 68745059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).