methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate

C25H23FN2O2 — CID 59251069

IUPACmethyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate
SMILESCOC(=O)C(C)(C)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C25H23FN2O2/c1-25(2,24(29)30-3)23(17-7-5-4-6-8-17)18-9-14-22-19(15-18)16-27-28(22)21-12-10-20(26)11-13-21/h4-16,23H,1-3H3
InChIKeyCEPYBMRDAXWJQQ-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.50
Rot. Bonds5

About methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate

methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate (PubChem CID 59251069) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate
PubChem CID59251069
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Namemethyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate
SMILESCOC(=O)C(C)(C)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C25H23FN2O2/c1-25(2,24(29)30-3)23(17-7-5-4-6-8-17)18-9-14-22-19(15-18)16-27-28(22)21-12-10-20(26)11-13-21/h4-16,23H,1-3H3
InChIKeyCEPYBMRDAXWJQQ-UHFFFAOYSA-N
XLogP5.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251119
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]acetamide
CID 24936446
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide
CID 59251049
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
CID 59251088
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide
CID 45273570
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]acetamide
CID 73346217
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide
CID 73346225
trans-(1S,2S)-2-[4-[4-fluoro-3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137657813
1-(4-(5-Benzyl-2h-indazol-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
CID 24850258
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide
CID 45269254
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide
CID 45271780

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate?
The IUPAC name of methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate (CID 59251069) is methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate?
The canonical SMILES for methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate is COC(=O)C(C)(C)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate?
The InChIKey is CEPYBMRDAXWJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2/c1-25(2,24(29)30-3)23(17-7-5-4-6-8-17)18-9-14-22-19(15-18)16-27-28(22)21-12-10-20(26)11-13-21/h4-16,23H,1-3H3.
What are the key properties of methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate?
methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate has a molecular weight of 402.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoate is sourced from PubChem (CID 59251069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).