4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide

C24H17N3O2S — CID 59023989

IUPAC4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)cc1
InChIInChI=1S/C24H17N3O2S/c1-14(28)15-6-8-16(9-7-15)24(29)26-19-10-18-13-25-27-23(18)20(12-19)22-11-17-4-2-3-5-21(17)30-22/h2-13H,1H3,(H,25,27)(H,26,29)
InChIKeySQORENZFYOJUSK-UHFFFAOYSA-N
MW411.49 g/mol
LogP5.90
Rot. Bonds4

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

4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide (PubChem CID 59023989) has the molecular formula C24H17N3O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is 4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide
PubChem CID59023989
Molecular FormulaC24H17N3O2S
Molecular Weight411.49 g/mol
Exact Mass411.10
IUPAC Name4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)cc1
InChIInChI=1S/C24H17N3O2S/c1-14(28)15-6-8-16(9-7-15)24(29)26-19-10-18-13-25-27-23(18)20(12-19)22-11-17-4-2-3-5-21(17)30-22/h2-13H,1H3,(H,25,27)(H,26,29)
InChIKeySQORENZFYOJUSK-UHFFFAOYSA-N
XLogP5.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 16730410
5-acetyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
CID 22978186
N-(6-methyl-3-styryl-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 46886342
5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide
CID 56848040
5-(2,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide
CID 68062150
4-[5-[(5-fluoro-2-methylsulfonylphenyl)methylamino]-1-methylindazol-3-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 145969181
3-[3-(2-Thienylcarbonylamino)Phenyl]-1H-Indazole-5-Carboxamide
CID 22479821
3-[3-(2-(3-Thienyl)Acetylamino)Phenyl]-1H-Indazole-5-Carboxamide
CID 22480074
US9567339, Example A.10.5
CID 86763017
2-(3-1H-indazol-5-ylureido)-N-(2-(dimethylamino)ethyl)-5-phenylthiophene-3-carboxamide
CID 53320540
4-Ethyl-N-[2-methyl-5-(1H-pyrazol-5-YL)thiophen-3-YL]benzamide
CID 53163522
N-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide
CID 17060511

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide?
The IUPAC name of 4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide (CID 59023989) is 4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide.
What is the SMILES notation for 4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide?
The canonical SMILES for 4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide is CC(=O)c1ccc(C(=O)Nc2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)cc1.
What is the InChIKey of 4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide?
The InChIKey is SQORENZFYOJUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2S/c1-14(28)15-6-8-16(9-7-15)24(29)26-19-10-18-13-25-27-23(18)20(12-19)22-11-17-4-2-3-5-21(17)30-22/h2-13H,1H3,(H,25,27)(H,26,29).
What are the key properties of 4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide?
4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide has a molecular weight of 411.49 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide is sourced from PubChem (CID 59023989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).