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

C24H21FN4O4 — CID 72628058

IUPAC4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESNC(=O)CCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12
InChIInChI=1S/C24H21FN4O4/c25-16-6-3-15(4-7-16)5-9-19-22-20(29-28-19)10-8-18(23(22)33-13-11-21(26)30)24(31)27-14-17-2-1-12-32-17/h1-10,12H,11,13-14H2,(H2,26,30)(H,27,31)(H,28,29)
InChIKeyOTVXSTYGGLUSSN-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.65
Rot. Bonds9

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

4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 72628058) has the molecular formula C24H21FN4O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is 4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID72628058
Molecular FormulaC24H21FN4O4
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC Name4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESNC(=O)CCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12
InChIInChI=1S/C24H21FN4O4/c25-16-6-3-15(4-7-16)5-9-19-22-20(29-28-19)10-8-18(23(22)33-13-11-21(26)30)24(31)27-14-17-2-1-12-32-17/h1-10,12H,11,13-14H2,(H2,26,30)(H,27,31)(H,28,29)
InChIKeyOTVXSTYGGLUSSN-UHFFFAOYSA-N
XLogP3.65
TPSA123.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-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
3-benzyl-N-(furan-2-yl)-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630354
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
(3-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n-methylcarboxamide
CID 20789081
3-[3-(2-Furylcarbonylamino)Phenyl]-1H-Indazole-5-Carboxamide
CID 22479833
N-benzyl-6-methoxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630335

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide (CID 72628058) is 4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide is NC(=O)CCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12.
What is the InChIKey of 4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is OTVXSTYGGLUSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4/c25-16-6-3-15(4-7-16)5-9-19-22-20(29-28-19)10-8-18(23(22)33-13-11-21(26)30)24(31)27-14-17-2-1-12-32-17/h1-10,12H,11,13-14H2,(H2,26,30)(H,27,31)(H,28,29).
What are the key properties of 4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 3.65, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).