7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide

C23H15N5OS — CID 59024311

IUPAC7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C23H15N5OS/c29-23(26-17-6-5-14-11-24-27-19(14)10-17)15-7-16-12-25-28-22(16)18(8-15)21-9-13-3-1-2-4-20(13)30-21/h1-12H,(H,24,27)(H,25,28)(H,26,29)
InChIKeyASRWMMXYJMCAMM-UHFFFAOYSA-N
MW409.47 g/mol
LogP5.57
Rot. Bonds3

About 7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide

7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide (PubChem CID 59024311) has the molecular formula C23H15N5OS and a molecular weight of 409.47 g/mol. Its IUPAC name is 7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide
PubChem CID59024311
Molecular FormulaC23H15N5OS
Molecular Weight409.47 g/mol
Exact Mass409.10
IUPAC Name7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C23H15N5OS/c29-23(26-17-6-5-14-11-24-27-19(14)10-17)15-7-16-12-25-28-22(16)18(8-15)21-9-13-3-1-2-4-20(13)30-21/h1-12H,(H,24,27)(H,25,28)(H,26,29)
InChIKeyASRWMMXYJMCAMM-UHFFFAOYSA-N
XLogP5.57
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.47
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide
CID 147160112
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
7-(1-benzothiophen-2-yl)-N-(2-methyl-4-oxopentan-2-yl)-1H-indazole-5-carboxamide
CID 59023868
7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide
CID 59023766
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide
CID 59024352
[3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]phenyl]urea
CID 59023804
3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea
CID 59023932
acetic acid;7-(1-benzothiophen-2-yl)-N-(6-oxopiperidin-3-yl)-1H-indazole-5-carboxamide
CID 162330115
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide?
The IUPAC name of 7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide (CID 59024311) is 7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for 7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide is O=C(Nc1ccc2cn[nH]c2c1)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1.
What is the InChIKey of 7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide?
The InChIKey is ASRWMMXYJMCAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5OS/c29-23(26-17-6-5-14-11-24-27-19(14)10-17)15-7-16-12-25-28-22(16)18(8-15)21-9-13-3-1-2-4-20(13)30-21/h1-12H,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide?
7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 5.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 59024311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).