N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide

C22H13N5O2S — CID 59024280

IUPACN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide
SMILESO=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)c1ccc2nonc2c1
InChIInChI=1S/C22H13N5O2S/c28-22(13-5-6-17-18(8-13)27-29-26-17)24-15-7-14-11-23-25-21(14)16(10-15)20-9-12-3-1-2-4-19(12)30-20/h1-11H,(H,23,25)(H,24,28)
InChIKeyWGFQYJCTXWIDCS-UHFFFAOYSA-N
MW411.45 g/mol
LogP5.23
Rot. Bonds3

About N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide

N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide (PubChem CID 59024280) has the molecular formula C22H13N5O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide
PubChem CID59024280
Molecular FormulaC22H13N5O2S
Molecular Weight411.45 g/mol
Exact Mass411.08
IUPAC NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide
SMILESO=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)c1ccc2nonc2c1
InChIInChI=1S/C22H13N5O2S/c28-22(13-5-6-17-18(8-13)27-29-26-17)24-15-7-14-11-23-25-21(14)16(10-15)20-9-12-3-1-2-4-19(12)30-20/h1-11H,(H,23,25)(H,24,28)
InChIKeyWGFQYJCTXWIDCS-UHFFFAOYSA-N
XLogP5.23
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide?
The IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide (CID 59024280) is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide.
What is the SMILES notation for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide?
The canonical SMILES for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide is O=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)c1ccc2nonc2c1.
What is the InChIKey of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide?
The InChIKey is WGFQYJCTXWIDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N5O2S/c28-22(13-5-6-17-18(8-13)27-29-26-17)24-15-7-14-11-23-25-21(14)16(10-15)20-9-12-3-1-2-4-19(12)30-20/h1-11H,(H,23,25)(H,24,28).
What are the key properties of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide?
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide is sourced from PubChem (CID 59024280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).