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

C23H20FN3O3 — CID 58138797

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C23H20FN3O3/c1-29-21-11-6-15(12-22(21)30-2)13-25-23(28)18-4-3-5-20-19(18)14-26-27(20)17-9-7-16(24)8-10-17/h3-12,14H,13H2,1-2H3,(H,25,28)
InChIKeyBZMMBNGMHHRWHX-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.11
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (PubChem CID 58138797) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
PubChem CID58138797
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C23H20FN3O3/c1-29-21-11-6-15(12-22(21)30-2)13-25-23(28)18-4-3-5-20-19(18)14-26-27(20)17-9-7-16(24)8-10-17/h3-12,14H,13H2,1-2H3,(H,25,28)
InChIKeyBZMMBNGMHHRWHX-UHFFFAOYSA-N
XLogP4.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (CID 58138797) is N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is COc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The InChIKey is BZMMBNGMHHRWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-29-21-11-6-15(12-22(21)30-2)13-25-23(28)18-4-3-5-20-19(18)14-26-27(20)17-9-7-16(24)8-10-17/h3-12,14H,13H2,1-2H3,(H,25,28).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is sourced from PubChem (CID 58138797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).