methyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate

C23H17ClFN3O3 — CID 66858535

IUPACmethyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2nn(Cc3cccc(Cl)c3)c3c(F)cccc23)cc1
InChIInChI=1S/C23H17ClFN3O3/c1-31-23(30)16-10-8-15(9-11-16)22(29)26-21-18-6-3-7-19(25)20(18)28(27-21)13-14-4-2-5-17(24)12-14/h2-12H,13H2,1H3,(H,26,27,29)
InChIKeyGQIHQZICZZLYIN-UHFFFAOYSA-N
MW437.86 g/mol
LogP4.92
Rot. Bonds5

About methyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate

methyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate (PubChem CID 66858535) has the molecular formula C23H17ClFN3O3 and a molecular weight of 437.86 g/mol. Its IUPAC name is methyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate
PubChem CID66858535
Molecular FormulaC23H17ClFN3O3
Molecular Weight437.86 g/mol
Exact Mass437.09
IUPAC Namemethyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2nn(Cc3cccc(Cl)c3)c3c(F)cccc23)cc1
InChIInChI=1S/C23H17ClFN3O3/c1-31-23(30)16-10-8-15(9-11-16)22(29)26-21-18-6-3-7-19(25)20(18)28(27-21)13-14-4-2-5-17(24)12-14/h2-12H,13H2,1H3,(H,26,27,29)
InChIKeyGQIHQZICZZLYIN-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]-7-fluoroindazol-3-yl]carbamoyl]benzoate with MolForge

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Related Compounds

Ethyl 4-[1-[(3-chlorophenyl)methyl]indazol-3-yl]benzoate
CID 24873525
benzyl N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]indazol-3-yl]carbamate
CID 172437057
3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 118335391
4-[[1-[(3-Chlorophenyl)methyl]-5-fluoroindazol-3-yl]carbamoyl]benzoic acid
CID 24955211
N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide
CID 24955212
N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-fluorobenzamide
CID 24955213
N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide
CID 24955214
4-[[1-[(3-Chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoic acid
CID 24955576
4-[[1-[(3-Chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoic acid
CID 24955578
Methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate
CID 66858047
Methyl 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate
CID 66858557
Methyl 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-yl]carbamoyl]benzoate
CID 66858836

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate (CID 66858535) is methyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2nn(Cc3cccc(Cl)c3)c3c(F)cccc23)cc1.
What is the InChIKey of methyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate?
The InChIKey is GQIHQZICZZLYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O3/c1-31-23(30)16-10-8-15(9-11-16)22(29)26-21-18-6-3-7-19(25)20(18)28(27-21)13-14-4-2-5-17(24)12-14/h2-12H,13H2,1H3,(H,26,27,29).
What are the key properties of methyl 4-[[1-[(3-chlorophenyl)methyl]-7-fluoroindazol-3-yl]carbamoyl]benzoate?
methyl 4-[[1-[(3-chlorophenyl)methyl]-7-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]-7-fluoroindazol-3-yl]carbamoyl]benzoate is sourced from PubChem (CID 66858535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).