7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide

C23H17N3O2S — CID 59023990

IUPAC7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c1
InChIInChI=1S/C23H17N3O2S/c1-28-18-7-4-6-17(12-18)25-23(27)15-9-16-13-24-26-22(16)19(10-15)21-11-14-5-2-3-8-20(14)29-21/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyLXTIFTYOYITVIN-UHFFFAOYSA-N
MW399.48 g/mol
LogP5.71
Rot. Bonds4

About 7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide

7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide (PubChem CID 59023990) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is 7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide
PubChem CID59023990
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC Name7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c1
InChIInChI=1S/C23H17N3O2S/c1-28-18-7-4-6-17(12-18)25-23(27)15-9-16-13-24-26-22(16)19(10-15)21-11-14-5-2-3-8-20(14)29-21/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyLXTIFTYOYITVIN-UHFFFAOYSA-N
XLogP5.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide
CID 59024311
4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide
CID 59023989
7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide
CID 59023766
7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide
CID 59023868
7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide
CID 91350780
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide
CID 59024280
methyl N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-sulfanylcarbamate
CID 87152416
7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide
CID 147160112
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide
CID 59024352
acetic acid;7-(1-benzothiophen-2-yl)-N-(6-oxopiperidin-3-yl)-1H-indazole-5-carboxamide
CID 162330115
3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea
CID 59023932
3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-[3-(dimethylamino)propyl]-1-methylurea
CID 59024041

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of 7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide (CID 59023990) is 7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide is COc1cccc(NC(=O)c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c1.
What is the InChIKey of 7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide?
The InChIKey is LXTIFTYOYITVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c1-28-18-7-4-6-17(12-18)25-23(27)15-9-16-13-24-26-22(16)19(10-15)21-11-14-5-2-3-8-20(14)29-21/h2-13H,1H3,(H,24,26)(H,25,27).
What are the key properties of 7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide?
7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 59023990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).