N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide

C24H22FN3O3 — CID 58138915

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C24H22FN3O3/c1-30-22-11-6-16(14-23(22)31-2)12-13-26-24(29)19-4-3-5-21-20(19)15-27-28(21)18-9-7-17(25)8-10-18/h3-11,14-15H,12-13H2,1-2H3,(H,26,29)
InChIKeyFCDJCILYSFSZGZ-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.15
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide (PubChem CID 58138915) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide
PubChem CID58138915
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C24H22FN3O3/c1-30-22-11-6-16(14-23(22)31-2)12-13-26-24(29)19-4-3-5-21-20(19)15-27-28(21)18-9-7-17(25)8-10-18/h3-11,14-15H,12-13H2,1-2H3,(H,26,29)
InChIKeyFCDJCILYSFSZGZ-UHFFFAOYSA-N
XLogP4.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide (CID 58138915) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide is COc1ccc(CCNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The InChIKey is FCDJCILYSFSZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-30-22-11-6-16(14-23(22)31-2)12-13-26-24(29)19-4-3-5-21-20(19)15-27-28(21)18-9-7-17(25)8-10-18/h3-11,14-15H,12-13H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide is sourced from PubChem (CID 58138915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).