N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide

C25H19N3O2S — CID 59024352

IUPACN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C25H19N3O2S/c29-21(16-6-2-1-3-7-16)10-11-24(30)27-19-12-18-15-26-28-25(18)20(14-19)23-13-17-8-4-5-9-22(17)31-23/h1-9,12-15H,10-11H2,(H,26,28)(H,27,30)
InChIKeyYJCZEFBBXBJYPC-UHFFFAOYSA-N
MW425.51 g/mol
LogP6.05
Rot. Bonds6

About N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide

N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide (PubChem CID 59024352) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide
PubChem CID59024352
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C25H19N3O2S/c29-21(16-6-2-1-3-7-16)10-11-24(30)27-19-12-18-15-26-28-25(18)20(14-19)23-13-17-8-4-5-9-22(17)31-23/h1-9,12-15H,10-11H2,(H,26,28)(H,27,30)
InChIKeyYJCZEFBBXBJYPC-UHFFFAOYSA-N
XLogP6.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide
CID 59024367
4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide
CID 59023989
3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea
CID 59023932
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide
CID 59024280
N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 59023823
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-(3,6-dioxopiperazin-2-yl)acetamide
CID 59024005
3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-[3-(dimethylamino)propyl]-1-methylurea
CID 59024041
7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide
CID 59024311
N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide
CID 59024181
[3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]phenyl]urea
CID 59023804
7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide
CID 91350780
7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide
CID 59023990

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide (CID 59024352) is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1.
What is the InChIKey of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide?
The InChIKey is YJCZEFBBXBJYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S/c29-21(16-6-2-1-3-7-16)10-11-24(30)27-19-12-18-15-26-28-25(18)20(14-19)23-13-17-8-4-5-9-22(17)31-23/h1-9,12-15H,10-11H2,(H,26,28)(H,27,30).
What are the key properties of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide?
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide has a molecular weight of 425.51 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 59024352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).