3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide

C24H22FN3O3 — CID 171106955

IUPAC3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2c(O)ccc3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C24H22FN3O3/c1-3-31-22-12-16(7-9-19(22)15-5-4-6-18(25)11-15)24(30)28(2)14-20-21(29)10-8-17-13-26-27-23(17)20/h4-13,29H,3,14H2,1-2H3,(H,26,27)
InChIKeyRUXWYJNOKBEDHQ-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.75
Rot. Bonds6

About 3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide

3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide (PubChem CID 171106955) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
PubChem CID171106955
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2c(O)ccc3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C24H22FN3O3/c1-3-31-22-12-16(7-9-19(22)15-5-4-6-18(25)11-15)24(30)28(2)14-20-21(29)10-8-17-13-26-27-23(17)20/h4-13,29H,3,14H2,1-2H3,(H,26,27)
InChIKeyRUXWYJNOKBEDHQ-UHFFFAOYSA-N
XLogP4.75
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide 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

3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
3-ethoxy-4-(3-fluorophenyl)-N-[(1S)-1-(1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170020764
3-ethoxy-4-(3-fluorophenyl)-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170020763
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide
CID 165385355
3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385394
3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide
CID 177350304
N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
CID 177286902
3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385094
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide
CID 165385189
(3R)-3-[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]-3-(1H-indazol-7-yl)-N,N-dimethylpropan-1-amine oxide
CID 177350230
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(R)-(1-methylazetidin-3-yl)-(1H-pyrazolo[4,3-c]pyridin-7-yl)methyl]benzamide
CID 177287073
3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385424

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide (CID 171106955) is 3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2c(O)ccc3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of 3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide?
The InChIKey is RUXWYJNOKBEDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-3-31-22-12-16(7-9-19(22)15-5-4-6-18(25)11-15)24(30)28(2)14-20-21(29)10-8-17-13-26-27-23(17)20/h4-13,29H,3,14H2,1-2H3,(H,26,27).
What are the key properties of 3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide?
3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide has a molecular weight of 419.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 171106955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).