3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide

C18H19N3O2 — CID 90931792

IUPAC3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide
SMILESCOc1ccc(C(C)(CC(N)=O)c2ccccc2)c2cn[nH]c12
InChIInChI=1S/C18H19N3O2/c1-18(10-16(19)22,12-6-4-3-5-7-12)14-8-9-15(23-2)17-13(14)11-20-21-17/h3-9,11H,10H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyHMAFKFQOYXGSEN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.75
Rot. Bonds5

About 3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide

3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide (PubChem CID 90931792) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide
PubChem CID90931792
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide
SMILESCOc1ccc(C(C)(CC(N)=O)c2ccccc2)c2cn[nH]c12
InChIInChI=1S/C18H19N3O2/c1-18(10-16(19)22,12-6-4-3-5-7-12)14-8-9-15(23-2)17-13(14)11-20-21-17/h3-9,11H,10H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyHMAFKFQOYXGSEN-UHFFFAOYSA-N
XLogP2.75
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1H-indazol-4-amine
CID 171597914
(3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide
CID 59831721
3-(2,3,4,5,6-pentafluorophenyl)-3-phenylbutanamide
CID 57178695
2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid
CID 67629226
3-(2-methoxyphenyl)-3-(methylamino)butanamide
CID 65236411
3,3-diphenylpentanediamide
CID 141227643
3-hydroxy-3-phenylheptanamide
CID 11253019
4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide
CID 65236981
3-amino-3-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 82291925
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide
CID 62487194
1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
CID 57223105

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide?
The IUPAC name of 3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide (CID 90931792) is 3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide.
What is the SMILES notation for 3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide?
The canonical SMILES for 3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide is COc1ccc(C(C)(CC(N)=O)c2ccccc2)c2cn[nH]c12.
What is the InChIKey of 3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide?
The InChIKey is HMAFKFQOYXGSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(10-16(19)22,12-6-4-3-5-7-12)14-8-9-15(23-2)17-13(14)11-20-21-17/h3-9,11H,10H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of 3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide?
3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide has a molecular weight of 309.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide is sourced from PubChem (CID 90931792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).