3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

C17H11N5S — CID 20789082

IUPAC3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESc1ccc2sc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)cc2c1
InChIInChI=1S/C17H11N5S/c1-2-4-14-10(3-1)8-15(23-14)16-12-7-11(17-18-9-19-22-17)5-6-13(12)20-21-16/h1-9H,(H,20,21)(H,18,19,22)
InChIKeyDWQFCNLXLXKRGT-UHFFFAOYSA-N
MW317.38 g/mol
LogP4.23
Rot. Bonds2

About 3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (PubChem CID 20789082) has the molecular formula C17H11N5S and a molecular weight of 317.38 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
PubChem CID20789082
Molecular FormulaC17H11N5S
Molecular Weight317.38 g/mol
Exact Mass317.07
IUPAC Name3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESc1ccc2sc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)cc2c1
InChIInChI=1S/C17H11N5S/c1-2-4-14-10(3-1)8-15(23-14)16-12-7-11(17-18-9-19-22-17)5-6-13(12)20-21-16/h1-9H,(H,20,21)(H,18,19,22)
InChIKeyDWQFCNLXLXKRGT-UHFFFAOYSA-N
XLogP4.23
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224684
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224696
5-(3-aminopropyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224697
5-(4-aminobutyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224701
3-(3-methylsulfonylphenyl)-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
CID 164620905
N4-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
CID 46224674
4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole
CID 155552736
5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine
CID 155563465
3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 10149380
3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 22479734
3-(2-phenylethynyl)-5-(1H-1,2,4-triazol-5-yl)-2H-indazole
CID 22479738
3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 22479742

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The IUPAC name of 3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (CID 20789082) is 3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is c1ccc2sc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)cc2c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The InChIKey is DWQFCNLXLXKRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5S/c1-2-4-14-10(3-1)8-15(23-14)16-12-7-11(17-18-9-19-22-17)5-6-13(12)20-21-16/h1-9H,(H,20,21)(H,18,19,22).
What are the key properties of 3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole has a molecular weight of 317.38 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is sourced from PubChem (CID 20789082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).