3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide

C25H24FN3O3 — CID 165385179

IUPAC3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(OC)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C25H24FN3O3/c1-4-32-23-13-17(8-10-20(23)16-6-5-7-19(26)12-16)25(30)29(2)15-18-9-11-22(31-3)21-14-27-28-24(18)21/h5-14H,4,15H2,1-3H3,(H,27,28)
InChIKeyBJINCBLYAVLFJK-UHFFFAOYSA-N
MW433.48 g/mol
LogP5.05
Rot. Bonds7

About 3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide

3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide (PubChem CID 165385179) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
PubChem CID165385179
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(OC)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C25H24FN3O3/c1-4-32-23-13-17(8-10-20(23)16-6-5-7-19(26)12-16)25(30)29(2)15-18-9-11-22(31-3)21-14-27-28-24(18)21/h5-14H,4,15H2,1-3H3,(H,27,28)
InChIKeyBJINCBLYAVLFJK-UHFFFAOYSA-N
XLogP5.05
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide (CID 165385179) is 3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2ccc(OC)c3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of 3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide?
The InChIKey is BJINCBLYAVLFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-4-32-23-13-17(8-10-20(23)16-6-5-7-19(26)12-16)25(30)29(2)15-18-9-11-22(31-3)21-14-27-28-24(18)21/h5-14H,4,15H2,1-3H3,(H,27,28).
What are the key properties of 3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide?
3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide has a molecular weight of 433.48 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(3-fluorophenyl)-N-[(4-methoxy-1H-indazol-7-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 165385179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).