[5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate

C24H24N2O3 — CID 57400552

IUPAC[5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C24H24N2O3/c1-24(2,3)23(27)28-16-18-13-14-21(29-18)22-19-11-7-8-12-20(19)26(25-22)15-17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3
InChIKeyPCEDMSXAUCMJBA-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.43
Rot. Bonds5

About [5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate

[5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 57400552) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is [5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID57400552
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name[5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C24H24N2O3/c1-24(2,3)23(27)28-16-18-13-14-21(29-18)22-19-11-7-8-12-20(19)26(25-22)15-17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3
InChIKeyPCEDMSXAUCMJBA-UHFFFAOYSA-N
XLogP5.43
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate 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 [5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate (CID 57400552) is [5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of [5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is PCEDMSXAUCMJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-24(2,3)23(27)28-16-18-13-14-21(29-18)22-19-11-7-8-12-20(19)26(25-22)15-17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3.
What are the key properties of [5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate?
[5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 388.47 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 57400552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).