7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide

C22H21N3O2S — CID 59023868

IUPAC7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide
SMILESCC(=O)CC(C)(C)NC(=O)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C22H21N3O2S/c1-13(26)11-22(2,3)24-21(27)15-8-16-12-23-25-20(16)17(9-15)19-10-14-6-4-5-7-18(14)28-19/h4-10,12H,11H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyLQMMSRHOAZBZIJ-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.93
Rot. Bonds5

About 7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide

7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide (PubChem CID 59023868) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide
PubChem CID59023868
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide
SMILESCC(=O)CC(C)(C)NC(=O)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C22H21N3O2S/c1-13(26)11-22(2,3)24-21(27)15-8-16-12-23-25-20(16)17(9-15)19-10-14-6-4-5-7-18(14)28-19/h4-10,12H,11H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyLQMMSRHOAZBZIJ-UHFFFAOYSA-N
XLogP4.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.93
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
7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide
CID 59023990
4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide
CID 59023989
acetic acid;7-(1-benzothiophen-2-yl)-N-(6-oxopiperidin-3-yl)-1H-indazole-5-carboxamide
CID 162330115
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-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide
CID 59023766
methyl N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-sulfanylcarbamate
CID 87152416
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide
CID 59024352
N-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide
CID 89329439
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide
CID 59024280
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-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide?
The IUPAC name of 7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide (CID 59023868) is 7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for 7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide is CC(=O)CC(C)(C)NC(=O)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1.
What is the InChIKey of 7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide?
The InChIKey is LQMMSRHOAZBZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-13(26)11-22(2,3)24-21(27)15-8-16-12-23-25-20(16)17(9-15)19-10-14-6-4-5-7-18(14)28-19/h4-10,12H,11H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide?
7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.93, 5 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-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 59023868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).