N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide

C28H30FN3O5 — CID 91171875

IUPACN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(C)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(OC)c1
InChIInChI=1S/C28H30FN3O5/c1-19(31-27(33)18-36-14-13-34-2)28(20-5-4-6-24(15-20)35-3)37-25-11-12-26-21(16-25)17-30-32(26)23-9-7-22(29)8-10-23/h4-12,15-17,19,28H,13-14,18H2,1-3H3,(H,31,33)
InChIKeyHKCVYBJKNTXYGE-UHFFFAOYSA-N
MW507.56 g/mol
LogP4.46
Rot. Bonds12

About N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide

N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide (PubChem CID 91171875) has the molecular formula C28H30FN3O5 and a molecular weight of 507.56 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide
PubChem CID91171875
Molecular FormulaC28H30FN3O5
Molecular Weight507.56 g/mol
Exact Mass507.22
IUPAC NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(C)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(OC)c1
InChIInChI=1S/C28H30FN3O5/c1-19(31-27(33)18-36-14-13-34-2)28(20-5-4-6-24(15-20)35-3)37-25-11-12-26-21(16-25)17-30-32(26)23-9-7-22(29)8-10-23/h4-12,15-17,19,28H,13-14,18H2,1-3H3,(H,31,33)
InChIKeyHKCVYBJKNTXYGE-UHFFFAOYSA-N
XLogP4.46
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 25012191
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-2-methoxyacetamide
CID 91266310
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 59339897
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide
CID 25013162
N-[(1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 143701095
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 44515676
N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-5-methylthiophene-2-carboxamide
CID 66813032
N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide
CID 66812491
N-[(1R,2S)-1-(3-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-hydroxyacetamide
CID 25013991
2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 66812455
tert-butyl 2-[[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 66812853
N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-yl]-2-methoxyacetamide
CID 66812647

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide (CID 91171875) is N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC(C)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(OC)c1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is HKCVYBJKNTXYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O5/c1-19(31-27(33)18-36-14-13-34-2)28(20-5-4-6-24(15-20)35-3)37-25-11-12-26-21(16-25)17-30-32(26)23-9-7-22(29)8-10-23/h4-12,15-17,19,28H,13-14,18H2,1-3H3,(H,31,33).
What are the key properties of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide?
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 507.56 g/mol, XLogP of 4.46, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 91171875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).