methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate

C23H17ClFN3O3 — CID 66858047

IUPACmethyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2nn(Cc3cccc(Cl)c3)c3cc(F)ccc23)cc1
InChIInChI=1S/C23H17ClFN3O3/c1-31-23(30)16-7-5-15(6-8-16)22(29)26-21-19-10-9-18(25)12-20(19)28(27-21)13-14-3-2-4-17(24)11-14/h2-12H,13H2,1H3,(H,26,27,29)
InChIKeyINJPJGGJDHKGKX-UHFFFAOYSA-N
MW437.86 g/mol
LogP4.92
Rot. Bonds5

About methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate

methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate (PubChem CID 66858047) has the molecular formula C23H17ClFN3O3 and a molecular weight of 437.86 g/mol. Its IUPAC name is methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate
PubChem CID66858047
Molecular FormulaC23H17ClFN3O3
Molecular Weight437.86 g/mol
Exact Mass437.09
IUPAC Namemethyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2nn(Cc3cccc(Cl)c3)c3cc(F)ccc23)cc1
InChIInChI=1S/C23H17ClFN3O3/c1-31-23(30)16-7-5-15(6-8-16)22(29)26-21-19-10-9-18(25)12-20(19)28(27-21)13-14-3-2-4-17(24)11-14/h2-12H,13H2,1H3,(H,26,27,29)
InChIKeyINJPJGGJDHKGKX-UHFFFAOYSA-N
XLogP4.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.86
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate 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

methyl 4-[[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]benzoate
CID 19411591
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide
CID 19411471
6-chloro-1-[(4-fluorophenyl)methyl]indazole-3-carbaldehyde;methyl 4-[(Z)-2-[6-chloro-1-[(4-fluorophenyl)methyl]indazol-3-yl]-1-cyanoethenyl]benzoate
CID 158045034
methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate
CID 58812066
methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate
CID 7386162
4-fluoro-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19405943
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycarbonylindazole-6-carboxylic acid
CID 66888999
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19402743
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine-4-carboxamide
CID 35521557
4-fluoro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408479
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide
CID 123635821

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate (CID 66858047) is methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2nn(Cc3cccc(Cl)c3)c3cc(F)ccc23)cc1.
What is the InChIKey of methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate?
The InChIKey is INJPJGGJDHKGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O3/c1-31-23(30)16-7-5-15(6-8-16)22(29)26-21-19-10-9-18(25)12-20(19)28(27-21)13-14-3-2-4-17(24)11-14/h2-12H,13H2,1H3,(H,26,27,29).
What are the key properties of methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate?
methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate has a molecular weight of 437.86 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate is sourced from PubChem (CID 66858047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).