3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide

C24H20FN3O4 — CID 72635824

IUPAC3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccc(F)c(C(C)=O)c3)c12
InChIInChI=1S/C24H20FN3O4/c1-14(29)18-12-15(5-8-19(18)25)6-9-20-22-21(28-27-20)10-7-17(23(22)31-2)24(30)26-13-16-4-3-11-32-16/h3-12H,13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyPVDBFGSDBCAVJA-UHFFFAOYSA-N
MW433.44 g/mol
LogP4.61
Rot. Bonds7

About 3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide

3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 72635824) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is 3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
PubChem CID72635824
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccc(F)c(C(C)=O)c3)c12
InChIInChI=1S/C24H20FN3O4/c1-14(29)18-12-15(5-8-19(18)25)6-9-20-22-21(28-27-20)10-7-17(23(22)31-2)24(30)26-13-16-4-3-11-32-16/h3-12H,13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyPVDBFGSDBCAVJA-UHFFFAOYSA-N
XLogP4.61
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide 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

6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
3-benzyl-N-[(4-ethoxyphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630325
(4-butoxy-2H-indazol-5-yl)-(2,6-difluoro-4-methylphenyl)methanone
CID 137629369
3-benzyl-N-(furan-2-yl)-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630354
3-benzyl-6-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630347
3-benzyl-6-hydroxy-N-(2-methoxyethyl)-N-methyl-1H-indazole-5-carboxamide
CID 137630352
3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46944203
(3-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n-[2-(dimethylamino)ethyl]carboxamide
CID 20789075
3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide
CID 20789076
(3-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n-[3-(dimethylamino)propyl]carboxamide
CID 20789077
(3-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n (2methylpropyl)carboxamide
CID 20789079
(3-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n-(methylethyl)carboxamide
CID 20789080

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (CID 72635824) is 3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccc(F)c(C(C)=O)c3)c12.
What is the InChIKey of 3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is PVDBFGSDBCAVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-14(29)18-12-15(5-8-19(18)25)6-9-20-22-21(28-27-20)10-7-17(23(22)31-2)24(30)26-13-16-4-3-11-32-16/h3-12H,13H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 72635824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).