2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid

C26H30N4O4 — CID 134587012

IUPAC2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCCOc1ccccc1Cn1nc(COC(C)(C)C(=O)O)cc1-c1ccc2cnn(CC)c2c1
InChIInChI=1S/C26H30N4O4/c1-5-29-22-13-18(11-12-19(22)15-27-29)23-14-21(17-34-26(3,4)25(31)32)28-30(23)16-20-9-7-8-10-24(20)33-6-2/h7-15H,5-6,16-17H2,1-4H3,(H,31,32)
InChIKeyIIFMWFDJJXGIJM-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.75
Rot. Bonds10

About 2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid

2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (PubChem CID 134587012) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
PubChem CID134587012
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCCOc1ccccc1Cn1nc(COC(C)(C)C(=O)O)cc1-c1ccc2cnn(CC)c2c1
InChIInChI=1S/C26H30N4O4/c1-5-29-22-13-18(11-12-19(22)15-27-29)23-14-21(17-34-26(3,4)25(31)32)28-30(23)16-20-9-7-8-10-24(20)33-6-2/h7-15H,5-6,16-17H2,1-4H3,(H,31,32)
InChIKeyIIFMWFDJJXGIJM-UHFFFAOYSA-N
XLogP4.75
TPSA91.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid 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 2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (CID 134587012) is 2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is CCOc1ccccc1Cn1nc(COC(C)(C)C(=O)O)cc1-c1ccc2cnn(CC)c2c1.
What is the InChIKey of 2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is IIFMWFDJJXGIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-5-29-22-13-18(11-12-19(22)15-27-29)23-14-21(17-34-26(3,4)25(31)32)28-30(23)16-20-9-7-8-10-24(20)33-6-2/h7-15H,5-6,16-17H2,1-4H3,(H,31,32).
What are the key properties of 2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 462.55 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 134587012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).